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

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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).