3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid

C14H15NO3 — CID 103551979

IUPAC3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1cccc2nc(C3CCC(C(=O)O)C3)oc12
InChIInChI=1S/C14H15NO3/c1-8-3-2-4-11-12(8)18-13(15-11)9-5-6-10(7-9)14(16)17/h2-4,9-10H,5-7H2,1H3,(H,16,17)
InChIKeyPPGMXYJEEJJQDQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.10
Rot. Bonds2

About 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid

3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551979) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551979
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1cccc2nc(C3CCC(C(=O)O)C3)oc12
InChIInChI=1S/C14H15NO3/c1-8-3-2-4-11-12(8)18-13(15-11)9-5-6-10(7-9)14(16)17/h2-4,9-10H,5-7H2,1H3,(H,16,17)
InChIKeyPPGMXYJEEJJQDQ-UHFFFAOYSA-N
XLogP3.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70030
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CID 13269
2,5-Dimethylbenzoxazole
CID 21884
Benzoxazole, 5-methyl-2-(4-methylphenyl)-
CID 85307
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
3-(2-(4,7-Dimethylbenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453444

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551979) is 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid is Cc1cccc2nc(C3CCC(C(=O)O)C3)oc12.
What is the InChIKey of 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is PPGMXYJEEJJQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-3-2-4-11-12(8)18-13(15-11)9-5-6-10(7-9)14(16)17/h2-4,9-10H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid?
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).