4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

C16H12N6O2 — CID 99824602

IUPAC4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cnccn2)n1Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N6O2/c23-16-22(15(20-24-16)14-9-17-5-6-19-14)10-12-1-3-13(4-2-12)21-8-7-18-11-21/h1-9,11H,10H2
InChIKeyYDYQZXOHYJNPES-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.53
Rot. Bonds4

About 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 99824602) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID99824602
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cnccn2)n1Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N6O2/c23-16-22(15(20-24-16)14-9-17-5-6-19-14)10-12-1-3-13(4-2-12)21-8-7-18-11-21/h1-9,11H,10H2
InChIKeyYDYQZXOHYJNPES-UHFFFAOYSA-N
XLogP1.53
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (CID 99824602) is 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2cnccn2)n1Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is YDYQZXOHYJNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-16-22(15(20-24-16)14-9-17-5-6-19-14)10-12-1-3-13(4-2-12)21-8-7-18-11-21/h1-9,11H,10H2.
What are the key properties of 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 320.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazol-1-ylphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 99824602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).