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

C13H9ClN4O2 — CID 137430121

IUPAC4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
SMILESNc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncco2)n1
InChIInChI=1S/C13H9ClN4O2/c14-8-5-7(1-2-9(8)19)11-12(13-16-3-4-20-13)18-10(15)6-17-11/h1-6,19H,(H2,15,18)
InChIKeyBBQIAXFTQBHQOP-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.74
Rot. Bonds2

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

4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol (PubChem CID 137430121) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
PubChem CID137430121
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol
SMILESNc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncco2)n1
InChIInChI=1S/C13H9ClN4O2/c14-8-5-7(1-2-9(8)19)11-12(13-16-3-4-20-13)18-10(15)6-17-11/h1-6,19H,(H2,15,18)
InChIKeyBBQIAXFTQBHQOP-UHFFFAOYSA-N
XLogP2.74
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.74
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-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The IUPAC name of 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol (CID 137430121) is 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol is Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncco2)n1.
What is the InChIKey of 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
The InChIKey is BBQIAXFTQBHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-8-5-7(1-2-9(8)19)11-12(13-16-3-4-20-13)18-10(15)6-17-11/h1-6,19H,(H2,15,18).
What are the key properties of 4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol?
4-[5-amino-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol has a molecular weight of 288.69 g/mol, XLogP of 2.74, 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-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-chlorophenol is sourced from PubChem (CID 137430121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).