N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H23N3O3 — CID 145466606

IUPACN-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1noc2c1CCCC2)C(=O)CN
InChIInChI=1S/C15H23N3O3/c1-15(2,3)13(10(19)8-16)17-14(20)12-9-6-4-5-7-11(9)21-18-12/h13H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyQAAZKPWGMHPYOO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds4

About N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 145466606) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID145466606
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1noc2c1CCCC2)C(=O)CN
InChIInChI=1S/C15H23N3O3/c1-15(2,3)13(10(19)8-16)17-14(20)12-9-6-4-5-7-11(9)21-18-12/h13H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyQAAZKPWGMHPYOO-UHFFFAOYSA-N
XLogP1.23
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 145466606) is N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C)C(NC(=O)c1noc2c1CCCC2)C(=O)CN.
What is the InChIKey of N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is QAAZKPWGMHPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)13(10(19)8-16)17-14(20)12-9-6-4-5-7-11(9)21-18-12/h13H,4-8,16H2,1-3H3,(H,17,20).
What are the key properties of N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 145466606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).