3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide

C19H19N3O3 — CID 46299904

IUPAC3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1CC(C)CC2
InChIInChI=1S/C19H19N3O3/c1-11-8-9-15-14(10-11)19(25-22-15)20-18(23)16-12(2)21-24-17(16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,20,23)
InChIKeyULQPHJHAQNADQG-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.02
Rot. Bonds3

About 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide

3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 46299904) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID46299904
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1CC(C)CC2
InChIInChI=1S/C19H19N3O3/c1-11-8-9-15-14(10-11)19(25-22-15)20-18(23)16-12(2)21-24-17(16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,20,23)
InChIKeyULQPHJHAQNADQG-UHFFFAOYSA-N
XLogP4.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide 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-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide (CID 46299904) is 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1CC(C)CC2.
What is the InChIKey of 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ULQPHJHAQNADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-8-9-15-14(10-11)19(25-22-15)20-18(23)16-12(2)21-24-17(16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46299904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).