N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C19H16N2O2 — CID 6619226

IUPACN-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C19H16N2O2/c1-12-6-9-14(10-7-12)20-19(22)17-16-11-8-13-4-2-3-5-15(13)18(16)23-21-17/h2-7,9-10H,8,11H2,1H3,(H,20,22)
InChIKeyVVSWRBLWQYCVKI-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.00
Rot. Bonds2

About N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 6619226) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID6619226
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C19H16N2O2/c1-12-6-9-14(10-7-12)20-19(22)17-16-11-8-13-4-2-3-5-15(13)18(16)23-21-17/h2-7,9-10H,8,11H2,1H3,(H,20,22)
InChIKeyVVSWRBLWQYCVKI-UHFFFAOYSA-N
XLogP4.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-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 N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 6619226) is N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1.
What is the InChIKey of N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is VVSWRBLWQYCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-6-9-14(10-7-12)20-19(22)17-16-11-8-13-4-2-3-5-15(13)18(16)23-21-17/h2-7,9-10H,8,11H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 6619226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).