2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid

C18H17NO5 — CID 162654688

IUPAC2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid
SMILESCOc1ccc(CCc2cccc3c2oc(=O)n3CC(=O)O)cc1
InChIInChI=1S/C18H17NO5/c1-23-14-9-6-12(7-10-14)5-8-13-3-2-4-15-17(13)24-18(22)19(15)11-16(20)21/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,20,21)
InChIKeySXUJRIOFQPJXCB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.47
Rot. Bonds6

About 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid

2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid (PubChem CID 162654688) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid
PubChem CID162654688
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid
SMILESCOc1ccc(CCc2cccc3c2oc(=O)n3CC(=O)O)cc1
InChIInChI=1S/C18H17NO5/c1-23-14-9-6-12(7-10-14)5-8-13-3-2-4-15-17(13)24-18(22)19(15)11-16(20)21/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,20,21)
InChIKeySXUJRIOFQPJXCB-UHFFFAOYSA-N
XLogP2.47
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid (CID 162654688) is 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid is COc1ccc(CCc2cccc3c2oc(=O)n3CC(=O)O)cc1.
What is the InChIKey of 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The InChIKey is SXUJRIOFQPJXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-14-9-6-12(7-10-14)5-8-13-3-2-4-15-17(13)24-18(22)19(15)11-16(20)21/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,20,21).
What are the key properties of 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid has a molecular weight of 327.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 162654688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).