3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide

C18H17N3O2 — CID 10063814

IUPAC3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N)noc2c1
InChIInChI=1S/C18H17N3O2/c1-10-2-3-12(18(22)20-13-5-6-13)8-15(10)11-4-7-14-16(9-11)23-21-17(14)19/h2-4,7-9,13H,5-6H2,1H3,(H2,19,21)(H,20,22)
InChIKeyCPLSCVQIMDIICQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.28
Rot. Bonds3

About 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide

3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 10063814) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide
PubChem CID10063814
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N)noc2c1
InChIInChI=1S/C18H17N3O2/c1-10-2-3-12(18(22)20-13-5-6-13)8-15(10)11-4-7-14-16(9-11)23-21-17(14)19/h2-4,7-9,13H,5-6H2,1H3,(H2,19,21)(H,20,22)
InChIKeyCPLSCVQIMDIICQ-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide 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 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide (CID 10063814) is 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N)noc2c1.
What is the InChIKey of 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is CPLSCVQIMDIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-2-3-12(18(22)20-13-5-6-13)8-15(10)11-4-7-14-16(9-11)23-21-17(14)19/h2-4,7-9,13H,5-6H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide?
3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-benzoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 10063814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).