2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid

C15H19N3O3 — CID 116690843

IUPAC2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCCN(c1nc2ccc(C(=O)O)cc2o1)C1CCNCC1
InChIInChI=1S/C15H19N3O3/c1-2-18(11-5-7-16-8-6-11)15-17-12-4-3-10(14(19)20)9-13(12)21-15/h3-4,9,11,16H,2,5-8H2,1H3,(H,19,20)
InChIKeyKMCCGKXUHNDSFS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.10
Rot. Bonds4

About 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid

2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690843) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690843
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
SMILESCCN(c1nc2ccc(C(=O)O)cc2o1)C1CCNCC1
InChIInChI=1S/C15H19N3O3/c1-2-18(11-5-7-16-8-6-11)15-17-12-4-3-10(14(19)20)9-13(12)21-15/h3-4,9,11,16H,2,5-8H2,1H3,(H,19,20)
InChIKeyKMCCGKXUHNDSFS-UHFFFAOYSA-N
XLogP2.10
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116690897
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691534
2-[ethyl(2-methylbutyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691537
2-(N-methylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690397
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691259
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691253
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 61404817
2-(methylsulfonylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358037
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid (CID 116690843) is 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid is CCN(c1nc2ccc(C(=O)O)cc2o1)C1CCNCC1.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is KMCCGKXUHNDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-18(11-5-7-16-8-6-11)15-17-12-4-3-10(14(19)20)9-13(12)21-15/h3-4,9,11,16H,2,5-8H2,1H3,(H,19,20).
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid?
2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).