methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate

C34H36F3N3O5 — CID 56970041

IUPACmethyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(OC)c(-c3ccc(N4CCC4)nc3CN3C(=O)O[C@H](c4cc(F)c(F)c(F)c4)[C@@H]3C)c2)CC1
InChIInChI=1S/C34H36F3N3O5/c1-19-32(23-16-26(35)31(37)27(36)17-23)45-34(42)40(19)18-28-24(10-12-30(38-28)39-13-4-14-39)25-15-22(9-11-29(25)43-2)20-5-7-21(8-6-20)33(41)44-3/h9-12,15-17,19-21,32H,4-8,13-14,18H2,1-3H3/t19-,20?,21?,32-/m0/s1
InChIKeyOEHRPNRYHSRCGL-CQFOMOQISA-N
MW623.67 g/mol
LogP6.91
Rot. Bonds8

About methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate

methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate (PubChem CID 56970041) has the molecular formula C34H36F3N3O5 and a molecular weight of 623.67 g/mol. Its IUPAC name is methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate
PubChem CID56970041
Molecular FormulaC34H36F3N3O5
Molecular Weight623.67 g/mol
Exact Mass623.26
IUPAC Namemethyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(OC)c(-c3ccc(N4CCC4)nc3CN3C(=O)O[C@H](c4cc(F)c(F)c(F)c4)[C@@H]3C)c2)CC1
InChIInChI=1S/C34H36F3N3O5/c1-19-32(23-16-26(35)31(37)27(36)17-23)45-34(42)40(19)18-28-24(10-12-30(38-28)39-13-4-14-39)25-15-22(9-11-29(25)43-2)20-5-7-21(8-6-20)33(41)44-3/h9-12,15-17,19-21,32H,4-8,13-14,18H2,1-3H3/t19-,20?,21?,32-/m0/s1
InChIKeyOEHRPNRYHSRCGL-CQFOMOQISA-N
XLogP6.91
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.67
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate (CID 56970041) is methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2ccc(OC)c(-c3ccc(N4CCC4)nc3CN3C(=O)O[C@H](c4cc(F)c(F)c(F)c4)[C@@H]3C)c2)CC1.
What is the InChIKey of methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate?
The InChIKey is OEHRPNRYHSRCGL-CQFOMOQISA-N. The full InChI is InChI=1S/C34H36F3N3O5/c1-19-32(23-16-26(35)31(37)27(36)17-23)45-34(42)40(19)18-28-24(10-12-30(38-28)39-13-4-14-39)25-15-22(9-11-29(25)43-2)20-5-7-21(8-6-20)33(41)44-3/h9-12,15-17,19-21,32H,4-8,13-14,18H2,1-3H3/t19-,20?,21?,32-/m0/s1.
What are the key properties of methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate?
methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate has a molecular weight of 623.67 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 56970041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).