2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine

C18H23N5O — CID 121255949

IUPAC2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C18H23N5O/c1-4-21-17-13-8-12(16-9-20-10-24-16)5-6-15(13)22-18(23-17)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22,23)
InChIKeyUMXVUJKALDQIAD-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.76
Rot. Bonds6

About 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine

2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 121255949) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID121255949
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C18H23N5O/c1-4-21-17-13-8-12(16-9-20-10-24-16)5-6-15(13)22-18(23-17)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22,23)
InChIKeyUMXVUJKALDQIAD-UHFFFAOYSA-N
XLogP3.76
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (CID 121255949) is 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is CCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is UMXVUJKALDQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-21-17-13-8-12(16-9-20-10-24-16)5-6-15(13)22-18(23-17)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-ethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 121255949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).