N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine

C25H18N8O2 — CID 59325364

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESc1cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1
InChIInChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)8-18(3-1)31-25-29-11-17-9-20(21-4-5-30-33-21)23(10-22(17)32-25)34-14-19-12-26-6-7-28-19/h1-13,15H,14H2,(H,30,33)(H,29,31,32)
InChIKeyTZRPWXUSGQLKLD-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.79
Rot. Bonds7

About N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine

N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine (PubChem CID 59325364) has the molecular formula C25H18N8O2 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
PubChem CID59325364
Molecular FormulaC25H18N8O2
Molecular Weight462.47 g/mol
Exact Mass462.16
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESc1cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1
InChIInChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)8-18(3-1)31-25-29-11-17-9-20(21-4-5-30-33-21)23(10-22(17)32-25)34-14-19-12-26-6-7-28-19/h1-13,15H,14H2,(H,30,33)(H,29,31,32)
InChIKeyTZRPWXUSGQLKLD-UHFFFAOYSA-N
XLogP4.79
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-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-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine (CID 59325364) is N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine is c1cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The InChIKey is TZRPWXUSGQLKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)8-18(3-1)31-25-29-11-17-9-20(21-4-5-30-33-21)23(10-22(17)32-25)34-14-19-12-26-6-7-28-19/h1-13,15H,14H2,(H,30,33)(H,29,31,32).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine has a molecular weight of 462.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 59325364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).