2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid

C14H16N2O3 — CID 116691276

IUPAC2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCCC1Nc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C14H16N2O3/c1-8-3-2-4-10(8)15-14-16-11-6-5-9(13(17)18)7-12(11)19-14/h5-8,10H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFUQNPEOUBRZTLS-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid

2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116691276) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
PubChem CID116691276
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCCC1Nc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C14H16N2O3/c1-8-3-2-4-10(8)15-14-16-11-6-5-9(13(17)18)7-12(11)19-14/h5-8,10H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFUQNPEOUBRZTLS-UHFFFAOYSA-N
XLogP3.13
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylcyclohexyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691430
2-(oxan-4-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690769
2-[(1,1-dioxothian-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690777
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 104967637
2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690826
2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid
CID 116690113
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690721
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690908
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690953
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid (CID 116691276) is 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid is CC1CCCC1Nc1nc2ccc(C(=O)O)cc2o1.
What is the InChIKey of 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is FUQNPEOUBRZTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-3-2-4-10(8)15-14-16-11-6-5-9(13(17)18)7-12(11)19-14/h5-8,10H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116691276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).