5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine

C13H9ClN4O — CID 69484075

IUPAC5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1
InChIInChI=1S/C13H9ClN4O/c14-10-2-1-8(12-5-16-7-19-12)3-9(10)11-4-18-13(15)6-17-11/h1-7H,(H2,15,18)
InChIKeyDAFXWNUBZXJCOA-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.03
Rot. Bonds2

About 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine

5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine (PubChem CID 69484075) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine
PubChem CID69484075
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1
InChIInChI=1S/C13H9ClN4O/c14-10-2-1-8(12-5-16-7-19-12)3-9(10)11-4-18-13(15)6-17-11/h1-7H,(H2,15,18)
InChIKeyDAFXWNUBZXJCOA-UHFFFAOYSA-N
XLogP3.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine (CID 69484075) is 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine is Nc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine?
The InChIKey is DAFXWNUBZXJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-2-1-8(12-5-16-7-19-12)3-9(10)11-4-18-13(15)6-17-11/h1-7H,(H2,15,18).
What are the key properties of 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine?
5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine has a molecular weight of 272.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 69484075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).