1,3-benzoxazol-2-yl 2-phenylpropanoate

C16H13NO3 — CID 174538916

IUPAC1,3-benzoxazol-2-yl 2-phenylpropanoate
SMILESCC(C(=O)Oc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)15(18)20-16-17-13-9-5-6-10-14(13)19-16/h2-11H,1H3
InChIKeyGRSOPHJVDSJYNC-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.54
Rot. Bonds3

About 1,3-benzoxazol-2-yl 2-phenylpropanoate

1,3-benzoxazol-2-yl 2-phenylpropanoate (PubChem CID 174538916) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl 2-phenylpropanoate.

Molecular Properties

Compound Name1,3-benzoxazol-2-yl 2-phenylpropanoate
PubChem CID174538916
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1,3-benzoxazol-2-yl 2-phenylpropanoate
SMILESCC(C(=O)Oc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)15(18)20-16-17-13-9-5-6-10-14(13)19-16/h2-11H,1H3
InChIKeyGRSOPHJVDSJYNC-UHFFFAOYSA-N
XLogP3.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzoxazol-2-yl 2-phenylpropanoate 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-(1-phenylethoxy)-1,3-benzoxazole
CID 13127042
1,3-benzoxazol-2-yl propanoate
CID 57266328
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
(2,2,2-trichloro-1-phenylethyl) 2-phenylpropanoate
CID 174577634
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
CID 61395834
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
3-(1,3-benzoxazol-2-yl)-4-oxo-4-sulfanylbutanoic acid;methanamine
CID 173413342

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl 2-phenylpropanoate?
The IUPAC name of 1,3-benzoxazol-2-yl 2-phenylpropanoate (CID 174538916) is 1,3-benzoxazol-2-yl 2-phenylpropanoate.
What is the SMILES notation for 1,3-benzoxazol-2-yl 2-phenylpropanoate?
The canonical SMILES for 1,3-benzoxazol-2-yl 2-phenylpropanoate is CC(C(=O)Oc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 1,3-benzoxazol-2-yl 2-phenylpropanoate?
The InChIKey is GRSOPHJVDSJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)15(18)20-16-17-13-9-5-6-10-14(13)19-16/h2-11H,1H3.
What are the key properties of 1,3-benzoxazol-2-yl 2-phenylpropanoate?
1,3-benzoxazol-2-yl 2-phenylpropanoate has a molecular weight of 267.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-yl 2-phenylpropanoate is sourced from PubChem (CID 174538916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).