2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid

C17H15NO4 — CID 82062913

IUPAC2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(CCCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO4/c19-16(20)13-8-9-15-14(11-13)18(17(21)22-15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyUVVNSUAZWHGKMU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.93
Rot. Bonds5

About 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid

2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 82062913) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID82062913
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(CCCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO4/c19-16(20)13-8-9-15-14(11-13)18(17(21)22-15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyUVVNSUAZWHGKMU-UHFFFAOYSA-N
XLogP2.93
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902
3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062900
3-nonyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062882
(E)-3-[4-[3-(2-oxo-1,3-benzoxazol-3-yl)propyl]phenyl]prop-2-enoic acid
CID 15516574
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
3-methyl-2-oxo-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 50958155
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067072

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid (CID 82062913) is 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(=O)n(CCCc3ccccc3)c2c1.
What is the InChIKey of 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is UVVNSUAZWHGKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16(20)13-8-9-15-14(11-13)18(17(21)22-15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20).
What are the key properties of 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid?
2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 82062913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).