[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate

C26H27FN2O6 — CID 68803640

IUPAC[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2CCC[C@H]2OC(=O)O)c1
InChIInChI=1S/C26H27FN2O6/c1-16-21(28-23(34-16)17-9-11-19(27)12-10-17)15-33-20-7-4-6-18(14-20)26(2,3)24(30)29-13-5-8-22(29)35-25(31)32/h4,6-7,9-12,14,22H,5,8,13,15H2,1-3H3,(H,31,32)/t22-/m1/s1
InChIKeyILWFWCABXDYHJK-JOCHJYFZSA-N
MW482.51 g/mol
LogP5.29
Rot. Bonds7

About [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate

[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 68803640) has the molecular formula C26H27FN2O6 and a molecular weight of 482.51 g/mol. Its IUPAC name is [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID68803640
Molecular FormulaC26H27FN2O6
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2CCC[C@H]2OC(=O)O)c1
InChIInChI=1S/C26H27FN2O6/c1-16-21(28-23(34-16)17-9-11-19(27)12-10-17)15-33-20-7-4-6-18(14-20)26(2,3)24(30)29-13-5-8-22(29)35-25(31)32/h4,6-7,9-12,14,22H,5,8,13,15H2,1-3H3,(H,31,32)/t22-/m1/s1
InChIKeyILWFWCABXDYHJK-JOCHJYFZSA-N
XLogP5.29
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
CID 68803639
(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 11179840
[(2R)-1-[2-[3-[[2-(4-cyanophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindol-2-yl] hydrogen carbonate
CID 68802886
(2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 11260470
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 68677163
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
(2R)-1-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanylcarbonylpyrrolidine-2-carboxylic acid
CID 11441991
3-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2-carboxylic acid
CID 162585116
[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate
CID 69171180
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
4-[4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylbenzamide
CID 11691851

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate (CID 68803640) is [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate is Cc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2CCC[C@H]2OC(=O)O)c1.
What is the InChIKey of [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is ILWFWCABXDYHJK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27FN2O6/c1-16-21(28-23(34-16)17-9-11-19(27)12-10-17)15-33-20-7-4-6-18(14-20)26(2,3)24(30)29-13-5-8-22(29)35-25(31)32/h4,6-7,9-12,14,22H,5,8,13,15H2,1-3H3,(H,31,32)/t22-/m1/s1.
What are the key properties of [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate?
[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 482.51 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 68803640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).