N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide

C13H16N2O2 — CID 53017044

IUPACN-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2nc(C(C)C)oc2c1
InChIInChI=1S/C13H16N2O2/c1-4-12(16)14-9-5-6-10-11(7-9)17-13(15-10)8(2)3/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyKTKYCZZFDTYEFB-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.30
Rot. Bonds3

About N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide (PubChem CID 53017044) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
PubChem CID53017044
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2nc(C(C)C)oc2c1
InChIInChI=1S/C13H16N2O2/c1-4-12(16)14-9-5-6-10-11(7-9)17-13(15-10)8(2)3/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyKTKYCZZFDTYEFB-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide 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-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide (CID 53017044) is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide is CCC(=O)Nc1ccc2nc(C(C)C)oc2c1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is KTKYCZZFDTYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-12(16)14-9-5-6-10-11(7-9)17-13(15-10)8(2)3/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide?
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 232.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 53017044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).