(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C35H45F2NO5 — CID 134465878

IUPAC(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(F)c(C2CCC(COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)N4C(=O)OC(C)(C)[C@@H]4C(C)C)c3)CC2)c1
InChIInChI=1S/C35H45F2NO5/c1-21(2)31-34(3,4)43-33(40)38(31)32(39)35(5,37)30(24-14-15-24)25-8-7-9-27(18-25)42-20-22-10-12-23(13-11-22)28-19-26(41-6)16-17-29(28)36/h7-9,16-19,21-24,30-31H,10-15,20H2,1-6H3/t22?,23?,30-,31-,35+/m0/s1
InChIKeyOJZLMQOYHIEUTD-CYUAIBLASA-N
MW597.74 g/mol
LogP8.19
Rot. Bonds10

About (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134465878) has the molecular formula C35H45F2NO5 and a molecular weight of 597.74 g/mol. Its IUPAC name is (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134465878
Molecular FormulaC35H45F2NO5
Molecular Weight597.74 g/mol
Exact Mass597.33
IUPAC Name(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(F)c(C2CCC(COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)N4C(=O)OC(C)(C)[C@@H]4C(C)C)c3)CC2)c1
InChIInChI=1S/C35H45F2NO5/c1-21(2)31-34(3,4)43-33(40)38(31)32(39)35(5,37)30(24-14-15-24)25-8-7-9-27(18-25)42-20-22-10-12-23(13-11-22)28-19-26(41-6)16-17-29(28)36/h7-9,16-19,21-24,30-31H,10-15,20H2,1-6H3/t22?,23?,30-,31-,35+/m0/s1
InChIKeyOJZLMQOYHIEUTD-CYUAIBLASA-N
XLogP8.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.74
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[6-(3-Methoxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145976634
(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 90694992
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-4-phenoxy-2-(trifluoromethyl)butanoyl]-1,3-oxazolidin-2-one
CID 102486708
(4S)-4-benzyl-3-[(2S,3R)-2-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-nitrobutanoyl]-1,3-oxazolidin-2-one
CID 168340520
(4R)-3-[(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 60164944
(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 134830569
4-((1-(3-(3-(4-fluorophenoxy)phenyl)propanoyl)pyrrolidin-3-yl)oxy)-6-methyl-2H-pyran-2-one
CID 76151385
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide
CID 10100989
N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide
CID 10327003
[5-[2-[4-Fluoro-2-[2-(4-fluoro-3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] dodecanoate
CID 22106938
[5-[2-[4-Fluoro-2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] dodecanoate
CID 22106949
(4S)-4-benzyl-3-[(2S)-2-[3-[(3,5-difluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 57667313

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134465878) is (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc(F)c(C2CCC(COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)N4C(=O)OC(C)(C)[C@@H]4C(C)C)c3)CC2)c1.
What is the InChIKey of (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OJZLMQOYHIEUTD-CYUAIBLASA-N. The full InChI is InChI=1S/C35H45F2NO5/c1-21(2)31-34(3,4)43-33(40)38(31)32(39)35(5,37)30(24-14-15-24)25-8-7-9-27(18-25)42-20-22-10-12-23(13-11-22)28-19-26(41-6)16-17-29(28)36/h7-9,16-19,21-24,30-31H,10-15,20H2,1-6H3/t22?,23?,30-,31-,35+/m0/s1.
What are the key properties of (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 597.74 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134465878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).