3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine

C16H18N4O — CID 121255889

IUPAC3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
SMILESCC(C)CC(N)c1ncc2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C16H18N4O/c1-10(2)5-13(17)16-19-7-12-6-11(3-4-14(12)20-16)15-8-18-9-21-15/h3-4,6-10,13H,5,17H2,1-2H3
InChIKeyBNEBRKQGWAFVHQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine

3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine (PubChem CID 121255889) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
PubChem CID121255889
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
SMILESCC(C)CC(N)c1ncc2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C16H18N4O/c1-10(2)5-13(17)16-19-7-12-6-11(3-4-14(12)20-16)15-8-18-9-21-15/h3-4,6-10,13H,5,17H2,1-2H3
InChIKeyBNEBRKQGWAFVHQ-UHFFFAOYSA-N
XLogP3.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine 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

(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one
CID 24879368
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
1-[4-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255719
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
2-(1-Amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
CID 121255756
2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255769
1-[4-Ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255772
2-(1-Amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
CID 121255790
1-[7-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255805
1-[4-Ethoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255811
1-[5-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255817

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine (CID 121255889) is 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine is CC(C)CC(N)c1ncc2cc(-c3cnco3)ccc2n1.
What is the InChIKey of 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The InChIKey is BNEBRKQGWAFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)5-13(17)16-19-7-12-6-11(3-4-14(12)20-16)15-8-18-9-21-15/h3-4,6-10,13H,5,17H2,1-2H3.
What are the key properties of 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine is sourced from PubChem (CID 121255889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).