N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide

C19H18N2O2 — CID 44580692

IUPACN-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2onc(C)c2c1
InChIInChI=1S/C19H18N2O2/c1-11-3-4-14(19(22)20-15-6-7-15)10-16(11)13-5-8-18-17(9-13)12(2)21-23-18/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22)
InChIKeyVXZKEHWWKRMNJU-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.00
Rot. Bonds3

About N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide

N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide (PubChem CID 44580692) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide
PubChem CID44580692
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2onc(C)c2c1
InChIInChI=1S/C19H18N2O2/c1-11-3-4-14(19(22)20-15-6-7-15)10-16(11)13-5-8-18-17(9-13)12(2)21-23-18/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22)
InChIKeyVXZKEHWWKRMNJU-UHFFFAOYSA-N
XLogP4.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide 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-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide (CID 44580692) is N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2onc(C)c2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide?
The InChIKey is VXZKEHWWKRMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-3-4-14(19(22)20-15-6-7-15)10-16(11)13-5-8-18-17(9-13)12(2)21-23-18/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide?
N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 44580692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).