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

C18H18N2O2 — CID 952231

IUPACN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C18H18N2O2/c1-3-6-17(21)19-13-9-10-16-15(11-13)20-18(22-16)14-8-5-4-7-12(14)2/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyFGEGUIJVUUOXHP-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.54
Rot. Bonds4

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

N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide (PubChem CID 952231) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
PubChem CID952231
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C18H18N2O2/c1-3-6-17(21)19-13-9-10-16-15(11-13)20-18(22-16)14-8-5-4-7-12(14)2/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyFGEGUIJVUUOXHP-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 136794425
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
2,3,4,5,6-pentafluoro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4105266
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
CID 25211219
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 667358
N-phenazin-2-ylbutanamide
CID 73349412

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide?
The IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide (CID 952231) is N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide is CCCC(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1.
What is the InChIKey of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide?
The InChIKey is FGEGUIJVUUOXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-6-17(21)19-13-9-10-16-15(11-13)20-18(22-16)14-8-5-4-7-12(14)2/h4-5,7-11H,3,6H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide?
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide has a molecular weight of 294.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide is sourced from PubChem (CID 952231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).