2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide

C20H15N3O3 — CID 167763607

IUPAC2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cc(-c3ccccc3)on2)cc2ccccc2c1=O
InChIInChI=1S/C20H15N3O3/c1-23-16(11-14-9-5-6-10-15(14)20(23)25)19(24)21-18-12-17(26-22-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22,24)
InChIKeyYXVMSXNVTIAZPO-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide

2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide (PubChem CID 167763607) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide
PubChem CID167763607
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cc(-c3ccccc3)on2)cc2ccccc2c1=O
InChIInChI=1S/C20H15N3O3/c1-23-16(11-14-9-5-6-10-15(14)20(23)25)19(24)21-18-12-17(26-22-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22,24)
InChIKeyYXVMSXNVTIAZPO-UHFFFAOYSA-N
XLogP3.45
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-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

Related Compounds

1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865242
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-1-oxoisoquinoline-3-carbonyl)amino]propanoic acid
CID 167977581
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 166298550
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
6,12-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 84818925
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
N-imidazo[1,2-a]pyridin-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602343
N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
CID 108812739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide (CID 167763607) is 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide is Cn1c(C(=O)Nc2cc(-c3ccccc3)on2)cc2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide?
The InChIKey is YXVMSXNVTIAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-23-16(11-14-9-5-6-10-15(14)20(23)25)19(24)21-18-12-17(26-22-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22,24).
What are the key properties of 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide?
2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 167763607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).