5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide

C13H11N5O3 — CID 63577398

IUPAC5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2cnc3ccccc3c2=O)on1
InChIInChI=1S/C13H11N5O3/c14-16-12(19)11-5-8(21-17-11)6-18-7-15-10-4-2-1-3-9(10)13(18)20/h1-5,7H,6,14H2,(H,16,19)
InChIKeyIPHWNKXWJSPNNY-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.04
Rot. Bonds3

About 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63577398) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63577398
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2cnc3ccccc3c2=O)on1
InChIInChI=1S/C13H11N5O3/c14-16-12(19)11-5-8(21-17-11)6-18-7-15-10-4-2-1-3-9(10)13(18)20/h1-5,7H,6,14H2,(H,16,19)
InChIKeyIPHWNKXWJSPNNY-UHFFFAOYSA-N
XLogP0.04
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide 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

5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 112595905
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 43620970
5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42532895
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 79765160
3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
CID 53060346
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-prop-2-ynylquinazolin-4-one
CID 603496
N-methyl-2-(4-oxoquinazolin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91770731

Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63577398) is 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(Cn2cnc3ccccc3c2=O)on1.
What is the InChIKey of 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is IPHWNKXWJSPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c14-16-12(19)11-5-8(21-17-11)6-18-7-15-10-4-2-1-3-9(10)13(18)20/h1-5,7H,6,14H2,(H,16,19).
What are the key properties of 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 285.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63577398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).