N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

C17H16N2O2 — CID 738665

IUPACN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-3-16(20)18-13-6-4-5-12(10-13)17-19-14-9-11(2)7-8-15(14)21-17/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyDXTXBZSXPGRDKJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.15
Rot. Bonds3

About N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 738665) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
PubChem CID738665
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-3-16(20)18-13-6-4-5-12(10-13)17-19-14-9-11(2)7-8-15(14)21-17/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyDXTXBZSXPGRDKJ-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]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-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (CID 738665) is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1.
What is the InChIKey of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The InChIKey is DXTXBZSXPGRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-16(20)18-13-6-4-5-12(10-13)17-19-14-9-11(2)7-8-15(14)21-17/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 280.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 738665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).