N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine

C25H18N8O2 — CID 59325372

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESc1cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1
InChIInChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20/h1-13,15H,14H2,(H,30,31)(H,29,32,33)
InChIKeyOFLSKUQDCVVAJF-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-4-yl)quinazolin-2-amine

N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 59325372) 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-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID59325372
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-4-yl)quinazolin-2-amine
SMILESc1cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1
InChIInChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20/h1-13,15H,14H2,(H,30,31)(H,29,32,33)
InChIKeyOFLSKUQDCVVAJF-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine (CID 59325372) is N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-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-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine is c1cc(Nc2ncc3cc(-c4cn[nH]c4)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-4-yl)quinazolin-2-amine?
The InChIKey is OFLSKUQDCVVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8O2/c1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20/h1-13,15H,14H2,(H,30,31)(H,29,32,33).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine?
N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-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-4-yl)quinazolin-2-amine is sourced from PubChem (CID 59325372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).