2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone

C20H12ClFN4O2 — CID 148984963

IUPAC2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone
SMILESO=C(Cc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C20H12ClFN4O2/c21-16-2-1-12(20-10-24-11-28-20)5-15(16)18-9-25-13(7-26-18)6-19(27)14-3-4-23-8-17(14)22/h1-5,7-11H,6H2
InChIKeyPWMHZSFDWHHZIC-UHFFFAOYSA-N
MW394.79 g/mol
LogP4.41
Rot. Bonds5

About 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone

2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 148984963) has the molecular formula C20H12ClFN4O2 and a molecular weight of 394.79 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone
PubChem CID148984963
Molecular FormulaC20H12ClFN4O2
Molecular Weight394.79 g/mol
Exact Mass394.06
IUPAC Name2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone
SMILESO=C(Cc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C20H12ClFN4O2/c21-16-2-1-12(20-10-24-11-28-20)5-15(16)18-9-25-13(7-26-18)6-19(27)14-3-4-23-8-17(14)22/h1-5,7-11H,6H2
InChIKeyPWMHZSFDWHHZIC-UHFFFAOYSA-N
XLogP4.41
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone (CID 148984963) is 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone is O=C(Cc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1ccncc1F.
What is the InChIKey of 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone?
The InChIKey is PWMHZSFDWHHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN4O2/c21-16-2-1-12(20-10-24-11-28-20)5-15(16)18-9-25-13(7-26-18)6-19(27)14-3-4-23-8-17(14)22/h1-5,7-11H,6H2.
What are the key properties of 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone?
2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone has a molecular weight of 394.79 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-1-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 148984963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).