5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole

C13H12N4O — CID 19324446

IUPAC5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccn(Cc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C13H12N4O/c1-10-7-8-17(15-10)9-12-14-13(16-18-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyOIGAALNBASUTBM-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds3

About 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole

5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324446) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324446
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccn(Cc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C13H12N4O/c1-10-7-8-17(15-10)9-12-14-13(16-18-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyOIGAALNBASUTBM-UHFFFAOYSA-N
XLogP2.29
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 70757916
3-(4-bromophenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 110167704
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
5-[2-(3-nitropyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324501
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324521
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (CID 19324446) is 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccn(Cc2nc(-c3ccccc3)no2)n1.
What is the InChIKey of 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OIGAALNBASUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10-7-8-17(15-10)9-12-14-13(16-18-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 240.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).