N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide

C17H15ClN2O2 — CID 5343935

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C
InChIInChI=1S/C17H15ClN2O2/c1-3-16(21)19-13-6-4-5-12(10(13)2)17-20-14-9-11(18)7-8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyPNHNZRVUBPWCHJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.81
Rot. Bonds3

About N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide (PubChem CID 5343935) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
PubChem CID5343935
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C
InChIInChI=1S/C17H15ClN2O2/c1-3-16(21)19-13-6-4-5-12(10(13)2)17-20-14-9-11(18)7-8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyPNHNZRVUBPWCHJ-UHFFFAOYSA-N
XLogP4.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide 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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 23990283
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbutanamide
CID 1048095
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 1497023
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
4-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide;hydrate
CID 21211855
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 1367030
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683695
4-tert-butyl-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 2298980
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(2-methylpropoxy)benzamide
CID 23906666
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 1344844

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide (CID 5343935) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide?
The InChIKey is PNHNZRVUBPWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-3-16(21)19-13-6-4-5-12(10(13)2)17-20-14-9-11(18)7-8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide has a molecular weight of 314.77 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide is sourced from PubChem (CID 5343935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).