2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

C27H27NO5 — CID 58120055

IUPAC2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C27H27NO5/c1-17-9-11-22(23-14-19(15-25(29)30)10-12-24(23)32-3)21(13-17)16-28-18(2)26(33-27(28)31)20-7-5-4-6-8-20/h4-14,18,26H,15-16H2,1-3H3,(H,29,30)/t18-,26-/m0/s1
InChIKeyWWKMALHSNPLWCB-QYBDOPJKSA-N
MW445.52 g/mol
LogP5.38
Rot. Bonds7

About 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (PubChem CID 58120055) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
PubChem CID58120055
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Name2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C27H27NO5/c1-17-9-11-22(23-14-19(15-25(29)30)10-12-24(23)32-3)21(13-17)16-28-18(2)26(33-27(28)31)20-7-5-4-6-8-20/h4-14,18,26H,15-16H2,1-3H3,(H,29,30)/t18-,26-/m0/s1
InChIKeyWWKMALHSNPLWCB-QYBDOPJKSA-N
XLogP5.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid 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

2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120058
2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
CID 66892251
benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
CID 58120048
cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
CID 58120035
2-[2,4-dimethoxy-5-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 143857672
(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-methoxyphenyl]-5-methylphenyl]methyl]-4-methyl-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 58355908
4-[3-[2-[[(4S,5R)-5-(3-fluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 58355971
ethyl 2-[4-ethoxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892229
3-chloro-4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]benzoic acid
CID 58355999
4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-1-ium-4-yl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-3-methylbenzoic acid;2,2,2-trifluoroacetate
CID 123615873
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-methoxy-5-methylsulfinylphenyl)-5-methylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 88580282
2-[3-[2-(benzylsulfinylmethyl)-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58460080

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (CID 58120055) is 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The InChIKey is WWKMALHSNPLWCB-QYBDOPJKSA-N. The full InChI is InChI=1S/C27H27NO5/c1-17-9-11-22(23-14-19(15-25(29)30)10-12-24(23)32-3)21(13-17)16-28-18(2)26(33-27(28)31)20-7-5-4-6-8-20/h4-14,18,26H,15-16H2,1-3H3,(H,29,30)/t18-,26-/m0/s1.
What are the key properties of 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid has a molecular weight of 445.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 58120055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).