2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile

C17H17N5O — CID 121255790

IUPAC2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
SMILESCC(C)CC(N)c1nc(C#N)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C17H17N5O/c1-10(2)5-13(19)17-21-14-4-3-11(16-8-20-9-23-16)6-12(14)15(7-18)22-17/h3-4,6,8-10,13H,5,19H2,1-2H3
InChIKeyIFLJTLHADONQIB-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile

2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile (PubChem CID 121255790) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
PubChem CID121255790
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
SMILESCC(C)CC(N)c1nc(C#N)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C17H17N5O/c1-10(2)5-13(19)17-21-14-4-3-11(16-8-20-9-23-16)6-12(14)15(7-18)22-17/h3-4,6,8-10,13H,5,19H2,1-2H3
InChIKeyIFLJTLHADONQIB-UHFFFAOYSA-N
XLogP3.20
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile 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
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
3-Methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121255889

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The IUPAC name of 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile (CID 121255790) is 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile is CC(C)CC(N)c1nc(C#N)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The InChIKey is IFLJTLHADONQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10(2)5-13(19)17-21-14-4-3-11(16-8-20-9-23-16)6-12(14)15(7-18)22-17/h3-4,6,8-10,13H,5,19H2,1-2H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile is sourced from PubChem (CID 121255790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).