N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H16N4O3 — CID 90490028

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O3/c1-24-20(26)15-10-6-5-9-14(15)17(22-24)12-21-19(25)16-11-18(27-23-16)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,25)
InChIKeyJHHOHZVFBRUAOA-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.52
Rot. Bonds4

About N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 90490028) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID90490028
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O3/c1-24-20(26)15-10-6-5-9-14(15)17(22-24)12-21-19(25)16-11-18(27-23-16)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,25)
InChIKeyJHHOHZVFBRUAOA-UHFFFAOYSA-N
XLogP2.52
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099
4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 90490028) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JHHOHZVFBRUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-24-20(26)15-10-6-5-9-14(15)17(22-24)12-21-19(25)16-11-18(27-23-16)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90490028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).