3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole

C12H10N4O — CID 53015251

IUPAC3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cn3ccnc3)no2)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-14-11(15-17-12)8-16-7-6-13-9-16/h1-7,9H,8H2
InChIKeyNDOJAIDNFDRPAU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.98
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole

3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 53015251) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID53015251
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cn3ccnc3)no2)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-14-11(15-17-12)8-16-7-6-13-9-16/h1-7,9H,8H2
InChIKeyNDOJAIDNFDRPAU-UHFFFAOYSA-N
XLogP1.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole (CID 53015251) is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole is c1ccc(-c2nc(Cn3ccnc3)no2)cc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is NDOJAIDNFDRPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-14-11(15-17-12)8-16-7-6-13-9-16/h1-7,9H,8H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 226.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 53015251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).