2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid

C15H12N2O3 — CID 62111311

IUPAC2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-14(19)13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)20-15/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyCGXLWZZNHDPYNS-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.07
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid

2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid (PubChem CID 62111311) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
PubChem CID62111311
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-14(19)13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)20-15/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyCGXLWZZNHDPYNS-UHFFFAOYSA-N
XLogP3.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
CID 94546889
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
CID 133476335
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
2-(1,3-benzoxazol-2-ylamino)hexanoic acid
CID 54895714
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-[4-(methanesulfonamido)phenyl]butanoic acid
CID 67089771
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-[amino(phenyl)methylidene]-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-2-phenylacetamide
CID 145056361
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid (CID 62111311) is 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid is O=C(O)C(Nc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid?
The InChIKey is CGXLWZZNHDPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14(19)13(10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)20-15/h1-9,13H,(H,16,17)(H,18,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid?
2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid has a molecular weight of 268.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid is sourced from PubChem (CID 62111311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).