2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid

C16H13NO4 — CID 82036591

IUPAC2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
SMILESCOc1ccccc1-c1nc2ccc(CC(=O)O)cc2o1
InChIInChI=1S/C16H13NO4/c1-20-13-5-3-2-4-11(13)16-17-12-7-6-10(9-15(18)19)8-14(12)21-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeySZHAJQQHQNIWPZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid

2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid (PubChem CID 82036591) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
PubChem CID82036591
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
SMILESCOc1ccccc1-c1nc2ccc(CC(=O)O)cc2o1
InChIInChI=1S/C16H13NO4/c1-20-13-5-3-2-4-11(13)16-17-12-7-6-10(9-15(18)19)8-14(12)21-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeySZHAJQQHQNIWPZ-UHFFFAOYSA-N
XLogP3.13
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one
CID 58778450
2-(4-chloro-2-methoxyphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81340585
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
1-[2-(2-methoxyphenyl)-1,3-oxazol-5-yl]ethanone
CID 115087217
2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
CID 165436051
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid (CID 82036591) is 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid is COc1ccccc1-c1nc2ccc(CC(=O)O)cc2o1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid?
The InChIKey is SZHAJQQHQNIWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-13-5-3-2-4-11(13)16-17-12-7-6-10(9-15(18)19)8-14(12)21-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid?
2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid has a molecular weight of 283.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid is sourced from PubChem (CID 82036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).