4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol

C15H13ClN4O2 — CID 137430113

IUPAC4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
SMILESCc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)oc1C
InChIInChI=1S/C15H13ClN4O2/c1-7-8(2)22-15(19-7)14-13(18-6-12(17)20-14)9-3-4-11(21)10(16)5-9/h3-6,21H,1-2H3,(H2,17,20)
InChIKeyICDNLGVSZWSLLN-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.36
Rot. Bonds2

About 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol

4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol (PubChem CID 137430113) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
PubChem CID137430113
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
SMILESCc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)oc1C
InChIInChI=1S/C15H13ClN4O2/c1-7-8(2)22-15(19-7)14-13(18-6-12(17)20-14)9-3-4-11(21)10(16)5-9/h3-6,21H,1-2H3,(H2,17,20)
InChIKeyICDNLGVSZWSLLN-UHFFFAOYSA-N
XLogP3.36
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The IUPAC name of 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol (CID 137430113) is 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol is Cc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)oc1C.
What is the InChIKey of 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The InChIKey is ICDNLGVSZWSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-7-8(2)22-15(19-7)14-13(18-6-12(17)20-14)9-3-4-11(21)10(16)5-9/h3-6,21H,1-2H3,(H2,17,20).
What are the key properties of 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol has a molecular weight of 316.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol is sourced from PubChem (CID 137430113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).