3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid

C13H13NO4 — CID 82479715

IUPAC3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(C3CCCC3)c2c1
InChIInChI=1S/C13H13NO4/c15-12(16)8-5-6-11-10(7-8)14(13(17)18-11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyDAZQELSXNUZHOT-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid

3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid (PubChem CID 82479715) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
PubChem CID82479715
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(=O)n(C3CCCC3)c2c1
InChIInChI=1S/C13H13NO4/c15-12(16)8-5-6-11-10(7-8)14(13(17)18-11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyDAZQELSXNUZHOT-UHFFFAOYSA-N
XLogP2.41
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

p-Anisic acid, 3-(bis(2-chloroethyl)amino)-
CID 32674
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 2811643
methyl 2-[7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 168294333
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
CID 9990174
Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
CID 12395109
Ethyl 3-benzyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
CID 16027908
7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-(3-methylbut-2-enyl)-1,3-benzoxazol-2-one
CID 168289254
7-[(E)-3-(3-fluoro-4-hydroxyphenyl)prop-2-enoyl]-3-(3-methylbut-2-enyl)-1,3-benzoxazol-2-one
CID 168291876
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic acid
CID 71756614
2-Mercaptobenzooxazole-5-carboxylic acid
CID 818330
3-[2-(Azepan-1-yl)ethyl]-5-propanoyl-1,3-benzoxazol-2-one
CID 25196422
[3-(tert-Butoxycarbonyl)amino-4-methoxy]benzoic acid
CID 2735632

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid (CID 82479715) is 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(=O)n(C3CCCC3)c2c1.
What is the InChIKey of 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is DAZQELSXNUZHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-12(16)8-5-6-11-10(7-8)14(13(17)18-11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16).
What are the key properties of 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 82479715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).