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

C17H16N4O3 — CID 71779472

IUPAC5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O3/c1-21-17(23)12-5-3-2-4-11(12)14(19-21)9-18-16(22)13-8-15(24-20-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,22)
InChIKeyZVZKKVISTMPANY-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.73
Rot. Bonds4

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

5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71779472) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID71779472
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O3/c1-21-17(23)12-5-3-2-4-11(12)14(19-21)9-18-16(22)13-8-15(24-20-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,22)
InChIKeyZVZKKVISTMPANY-UHFFFAOYSA-N
XLogP1.73
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90490028
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
5-cyclopropyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71797530
5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 32658761
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
4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988
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-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 167961587

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide (CID 71779472) is 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide is Cn1nc(CNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O.
What is the InChIKey of 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZVZKKVISTMPANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-21-17(23)12-5-3-2-4-11(12)14(19-21)9-18-16(22)13-8-15(24-20-13)10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,18,22).
What are the key properties of 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71779472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).