4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine

C12H11N5O — CID 106414475

IUPAC4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NCc3ccno3)ncnc2c1
InChIInChI=1S/C12H11N5O/c13-8-1-2-10-11(5-8)15-7-16-12(10)14-6-9-3-4-17-18-9/h1-5,7H,6,13H2,(H,14,15,16)
InChIKeyWNQKNPKPOSGWJM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.81
Rot. Bonds3

About 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine

4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine (PubChem CID 106414475) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
PubChem CID106414475
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NCc3ccno3)ncnc2c1
InChIInChI=1S/C12H11N5O/c13-8-1-2-10-11(5-8)15-7-16-12(10)14-6-9-3-4-17-18-9/h1-5,7H,6,13H2,(H,14,15,16)
InChIKeyWNQKNPKPOSGWJM-UHFFFAOYSA-N
XLogP1.81
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine 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

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
CID 114954524
6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106424788
3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
CID 106424136
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106421690
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine (CID 106414475) is 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine is Nc1ccc2c(NCc3ccno3)ncnc2c1.
What is the InChIKey of 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine?
The InChIKey is WNQKNPKPOSGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-8-1-2-10-11(5-8)15-7-16-12(10)14-6-9-3-4-17-18-9/h1-5,7H,6,13H2,(H,14,15,16).
What are the key properties of 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine?
4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine has a molecular weight of 241.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine is sourced from PubChem (CID 106414475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).