(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one

C68H78F4N6O7 — CID 158131550

IUPAC(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.Cc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.O=C1O[C@@H](CN2CCC(Cc3ccc(F)cc3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3.C23H27FN2O2.C22H24F2N2O2/c1-28-21-8-6-20(7-9-21)26-16-22(29-23(26)27)15-25-12-10-18(11-13-25)14-17-2-4-19(24)5-3-17;1-17-2-8-21(9-3-17)26-16-22(28-23(26)27)15-25-12-10-19(11-13-25)14-18-4-6-20(24)7-5-18;23-18-3-1-16(2-4-18)13-17-9-11-25(12-10-17)14-21-15-26(22(27)28-21)20-7-5-19(24)6-8-20/h2-9,18,22H,10-16H2,1H3;2-9,19,22H,10-16H2,1H3;1-8,17,21H,9-15H2/t2*22-;21-/m000/s1
InChIKeyFSVJBLAPUOWOHP-SQJMGGAZSA-N
MW1167.40 g/mol
LogP12.77
Rot. Bonds16

About (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one

(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 158131550) has the molecular formula C68H78F4N6O7 and a molecular weight of 1167.40 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID158131550
Molecular FormulaC68H78F4N6O7
Molecular Weight1167.40 g/mol
Exact Mass1166.59
IUPAC Name(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.Cc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.O=C1O[C@@H](CN2CCC(Cc3ccc(F)cc3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3.C23H27FN2O2.C22H24F2N2O2/c1-28-21-8-6-20(7-9-21)26-16-22(29-23(26)27)15-25-12-10-18(11-13-25)14-17-2-4-19(24)5-3-17;1-17-2-8-21(9-3-17)26-16-22(28-23(26)27)15-25-12-10-19(11-13-25)14-18-4-6-20(24)7-5-18;23-18-3-1-16(2-4-18)13-17-9-11-25(12-10-17)14-21-15-26(22(27)28-21)20-7-5-19(24)6-8-20/h2-9,18,22H,10-16H2,1H3;2-9,19,22H,10-16H2,1H3;1-8,17,21H,9-15H2/t2*22-;21-/m000/s1
InChIKeyFSVJBLAPUOWOHP-SQJMGGAZSA-N
XLogP12.77
TPSA107.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.40
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 158131550) is (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.Cc1ccc(N2C[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)OC2=O)cc1.O=C1O[C@@H](CN2CCC(Cc3ccc(F)cc3)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FSVJBLAPUOWOHP-SQJMGGAZSA-N. The full InChI is InChI=1S/C23H27FN2O3.C23H27FN2O2.C22H24F2N2O2/c1-28-21-8-6-20(7-9-21)26-16-22(29-23(26)27)15-25-12-10-18(11-13-25)14-17-2-4-19(24)5-3-17;1-17-2-8-21(9-3-17)26-16-22(28-23(26)27)15-25-12-10-19(11-13-25)14-18-4-6-20(24)7-5-18;23-18-3-1-16(2-4-18)13-17-9-11-25(12-10-17)14-21-15-26(22(27)28-21)20-7-5-19(24)6-8-20/h2-9,18,22H,10-16H2,1H3;2-9,19,22H,10-16H2,1H3;1-8,17,21H,9-15H2/t2*22-;21-/m000/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 1167.40 g/mol, XLogP of 12.77, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 158131550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).