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

C14H16N2O3 — CID 116690826

IUPAC2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCC1(Nc2nc3ccc(C(=O)O)cc3o2)CCCC1
InChIInChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-13-15-10-5-4-9(12(17)18)8-11(10)19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyOCNACPRKBQNCSM-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.27
Rot. Bonds3

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

2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690826) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690826
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCC1(Nc2nc3ccc(C(=O)O)cc3o2)CCCC1
InChIInChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-13-15-10-5-4-9(12(17)18)8-11(10)19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyOCNACPRKBQNCSM-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylcyclopentyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358454
2-(1-methylcyclohexyl)-1,3-benzoxazole-6-carboxylic acid
CID 106829420
2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691276
N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
CID 115765396
2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690721
2-[(1,1-dioxothian-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690777
2-(oxan-4-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690769
2-[(4-methylphenyl)methylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116690577
2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690735
2-(1-hydroxybutan-2-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 114093801
2-[(3,4-dimethylcyclohexyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691430
2-(1,4-dioxan-2-ylmethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690808

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid (CID 116690826) is 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid is CC1(Nc2nc3ccc(C(=O)O)cc3o2)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is OCNACPRKBQNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-13-15-10-5-4-9(12(17)18)8-11(10)19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid?
2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).