trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C125H161FN18O27 — CID 163766109

IUPACtrans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)OCc1cncnc1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1)C1CCCC1.CN(CC1CCCC1)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(F)n2)cnn1C.Cc1nc(-c2noc(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1onc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)c1COC(=O)N(C)C1CCCC1.[C-]#[N+]c1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C26H33N5O5.C25H33FN4O5.C25H33N3O6.C25H31N3O5.C24H31N3O6/c1-27-24-23(36-19-10-6-9-18(13-19)25(32)33)12-11-21(29-24)20-14-28-31(3)22(20)16-35-26(34)30(2)15-17-7-4-5-8-17;1-29(14-16-6-3-4-7-16)25(33)34-15-21-19(13-27-30(21)2)20-10-11-22(23(26)28-20)35-18-9-5-8-17(12-18)24(31)32;1-15-22(33-19-10-6-7-17(13-19)24(29)30)12-11-21(26-15)23-20(16(2)34-27-23)14-32-25(31)28(3)18-8-4-5-9-18;1-28(20-6-2-3-7-20)25(31)32-15-19-14-26-16-27-23(19)17-9-11-21(12-10-17)33-22-8-4-5-18(13-22)24(29)30;1-15-20(14-31-24(30)27(2)17-7-3-4-8-17)22(26-33-15)21-11-10-19(13-25-21)32-18-9-5-6-16(12-18)23(28)29/h11-12,14,17-19H,4-10,13,15-16H2,2-3H3,(H,32,33);10-11,13,16-18H,3-9,12,14-15H2,1-2H3,(H,31,32);11-12,17-19H,4-10,13-14H2,1-3H3,(H,29,30);9-12,14,16,18,20,22H,2-8,13,15H2,1H3,(H,29,30);10-11,13,16-18H,3-9,12,14H2,1-2H3,(H,28,29)/t18-,19-;17-,18-;17-,19-;18-,22-;16-,18-/m00000/s1
InChIKeyMCKHALKJGSRGIJ-UPFAIIOCSA-N
MW2366.76 g/mol
LogP23.36
Rot. Bonds37

About trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 163766109) has the molecular formula C125H161FN18O27 and a molecular weight of 2366.76 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID163766109
Molecular FormulaC125H161FN18O27
Molecular Weight2366.76 g/mol
Exact Mass2365.18
IUPAC Nametrans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)OCc1cncnc1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1)C1CCCC1.CN(CC1CCCC1)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(F)n2)cnn1C.Cc1nc(-c2noc(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1onc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)c1COC(=O)N(C)C1CCCC1.[C-]#[N+]c1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C26H33N5O5.C25H33FN4O5.C25H33N3O6.C25H31N3O5.C24H31N3O6/c1-27-24-23(36-19-10-6-9-18(13-19)25(32)33)12-11-21(29-24)20-14-28-31(3)22(20)16-35-26(34)30(2)15-17-7-4-5-8-17;1-29(14-16-6-3-4-7-16)25(33)34-15-21-19(13-27-30(21)2)20-10-11-22(23(26)28-20)35-18-9-5-8-17(12-18)24(31)32;1-15-22(33-19-10-6-7-17(13-19)24(29)30)12-11-21(26-15)23-20(16(2)34-27-23)14-32-25(31)28(3)18-8-4-5-9-18;1-28(20-6-2-3-7-20)25(31)32-15-19-14-26-16-27-23(19)17-9-11-21(12-10-17)33-22-8-4-5-18(13-22)24(29)30;1-15-20(14-31-24(30)27(2)17-7-3-4-8-17)22(26-33-15)21-11-10-19(13-25-21)32-18-9-5-6-16(12-18)23(28)29/h11-12,14,17-19H,4-10,13,15-16H2,2-3H3,(H,32,33);10-11,13,16-18H,3-9,12,14-15H2,1-2H3,(H,31,32);11-12,17-19H,4-10,13-14H2,1-3H3,(H,29,30);9-12,14,16,18,20,22H,2-8,13,15H2,1H3,(H,29,30);10-11,13,16-18H,3-9,12,14H2,1-2H3,(H,28,29)/t18-,19-;17-,18-;17-,19-;18-,22-;16-,18-/m00000/s1
InChIKeyMCKHALKJGSRGIJ-UPFAIIOCSA-N
XLogP23.36
TPSA549.75 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002366.76
LogP ≤ 523.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 163766109) is trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is CN(C(=O)OCc1cncnc1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1)C1CCCC1.CN(CC1CCCC1)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(F)n2)cnn1C.Cc1nc(-c2noc(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1onc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)c1COC(=O)N(C)C1CCCC1.[C-]#[N+]c1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is MCKHALKJGSRGIJ-UPFAIIOCSA-N. The full InChI is InChI=1S/C26H33N5O5.C25H33FN4O5.C25H33N3O6.C25H31N3O5.C24H31N3O6/c1-27-24-23(36-19-10-6-9-18(13-19)25(32)33)12-11-21(29-24)20-14-28-31(3)22(20)16-35-26(34)30(2)15-17-7-4-5-8-17;1-29(14-16-6-3-4-7-16)25(33)34-15-21-19(13-27-30(21)2)20-10-11-22(23(26)28-20)35-18-9-5-8-17(12-18)24(31)32;1-15-22(33-19-10-6-7-17(13-19)24(29)30)12-11-21(26-15)23-20(16(2)34-27-23)14-32-25(31)28(3)18-8-4-5-9-18;1-28(20-6-2-3-7-20)25(31)32-15-19-14-26-16-27-23(19)17-9-11-21(12-10-17)33-22-8-4-5-18(13-22)24(29)30;1-15-20(14-31-24(30)27(2)17-7-3-4-8-17)22(26-33-15)21-11-10-19(13-25-21)32-18-9-5-6-16(12-18)23(28)29/h11-12,14,17-19H,4-10,13,15-16H2,2-3H3,(H,32,33);10-11,13,16-18H,3-9,12,14-15H2,1-2H3,(H,31,32);11-12,17-19H,4-10,13-14H2,1-3H3,(H,29,30);9-12,14,16,18,20,22H,2-8,13,15H2,1H3,(H,29,30);10-11,13,16-18H,3-9,12,14H2,1-2H3,(H,28,29)/t18-,19-;17-,18-;17-,19-;18-,22-;16-,18-/m00000/s1.
What are the key properties of trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 2366.76 g/mol, XLogP of 23.36, 37 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]pyrimidin-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[cyclopentylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-isocyano-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 163766109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).