1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid

C16H20N2O3 — CID 117099421

IUPAC1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1nc2cc(N3CCC(C(=O)O)CC3)ccc2o1
InChIInChI=1S/C16H20N2O3/c1-10(2)15-17-13-9-12(3-4-14(13)21-15)18-7-5-11(6-8-18)16(19)20/h3-4,9-11H,5-8H2,1-2H3,(H,19,20)
InChIKeyHFDLJQOYXRKPPC-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid

1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 117099421) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
PubChem CID117099421
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1nc2cc(N3CCC(C(=O)O)CC3)ccc2o1
InChIInChI=1S/C16H20N2O3/c1-10(2)15-17-13-9-12(3-4-14(13)21-15)18-7-5-11(6-8-18)16(19)20/h3-4,9-11H,5-8H2,1-2H3,(H,19,20)
InChIKeyHFDLJQOYXRKPPC-UHFFFAOYSA-N
XLogP3.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-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

1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
CID 117099459
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25479683
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 72849130
methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 25296398
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358691
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
5-oxo-1-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 50882284

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid (CID 117099421) is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid is CC(C)c1nc2cc(N3CCC(C(=O)O)CC3)ccc2o1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is HFDLJQOYXRKPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)15-17-13-9-12(3-4-14(13)21-15)18-7-5-11(6-8-18)16(19)20/h3-4,9-11H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid?
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117099421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).