2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid

C20H20ClNO6 — CID 68660712

IUPAC2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CN1CCOC1=O
InChIInChI=1S/C20H20ClNO6/c1-2-26-17-5-3-13(10-19(23)24)9-18(17)28-16-6-4-15(21)11-14(16)12-22-7-8-27-20(22)25/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,23,24)
InChIKeyQWFAUKUHSKHUMR-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.11
Rot. Bonds8

About 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid

2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid (PubChem CID 68660712) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid
PubChem CID68660712
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Name2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CN1CCOC1=O
InChIInChI=1S/C20H20ClNO6/c1-2-26-17-5-3-13(10-19(23)24)9-18(17)28-16-6-4-15(21)11-14(16)12-22-7-8-27-20(22)25/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,23,24)
InChIKeyQWFAUKUHSKHUMR-UHFFFAOYSA-N
XLogP4.11
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]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

ethyl 2-[4-methoxy-3-[4-(2-methylsulfonylphenyl)-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]phenyl]acetate
CID 58237655
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
4-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444570
[4-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazin-8-yl] hydrogen carbonate
CID 129068981
3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
CID 62018003
3-[(3-chlorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 140971353
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
CID 79469208
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-[3-[4-bromo-2-[[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]-4-hydroxyphenyl]acetic acid
CID 70989648

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid (CID 68660712) is 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid is CCOc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CN1CCOC1=O.
What is the InChIKey of 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid?
The InChIKey is QWFAUKUHSKHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-2-26-17-5-3-13(10-19(23)24)9-18(17)28-16-6-4-15(21)11-14(16)12-22-7-8-27-20(22)25/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,23,24).
What are the key properties of 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid?
2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid has a molecular weight of 405.83 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-chloro-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]-4-ethoxyphenyl]acetic acid is sourced from PubChem (CID 68660712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).