N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine

C23H20N6O — CID 44968253

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1
InChIInChI=1S/C23H20N6O/c1-15-21(30-23(29-15)16-5-3-2-4-6-16)17-7-8-20-19(11-17)22(28-14-27-20)25-10-9-18-12-24-13-26-18/h2-8,11-14H,9-10H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyBGGZSHGQCIMWEB-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 44968253) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID44968253
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1
InChIInChI=1S/C23H20N6O/c1-15-21(30-23(29-15)16-5-3-2-4-6-16)17-7-8-20-19(11-17)22(28-14-27-20)25-10-9-18-12-24-13-26-18/h2-8,11-14H,9-10H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyBGGZSHGQCIMWEB-UHFFFAOYSA-N
XLogP4.64
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-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 N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine (CID 44968253) is N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine is Cc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is BGGZSHGQCIMWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-15-21(30-23(29-15)16-5-3-2-4-6-16)17-7-8-20-19(11-17)22(28-14-27-20)25-10-9-18-12-24-13-26-18/h2-8,11-14H,9-10H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 396.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 44968253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).