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

C8H10N4O — CID 131114204

IUPAC5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccnn2C)no1
InChIInChI=1S/C8H10N4O/c1-6-10-8(11-13-6)5-7-3-4-9-12(7)2/h3-4H,5H2,1-2H3
InChIKeyOSECFHGRQUEATE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds2

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

5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole (PubChem CID 131114204) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
PubChem CID131114204
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccnn2C)no1
InChIInChI=1S/C8H10N4O/c1-6-10-8(11-13-6)5-7-3-4-9-12(7)2/h3-4H,5H2,1-2H3
InChIKeyOSECFHGRQUEATE-UHFFFAOYSA-N
XLogP0.70
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
6-[3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 167778407
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
5-(iodomethyl)-1-methylpyrazole
CID 126698907
5-(bromomethyl)-1-methylpyrazole
CID 59589503
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
CID 66657454
5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 99841389
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole
CID 143220608

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole (CID 131114204) is 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole is Cc1nc(Cc2ccnn2C)no1.
What is the InChIKey of 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is OSECFHGRQUEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6-10-8(11-13-6)5-7-3-4-9-12(7)2/h3-4H,5H2,1-2H3.
What are the key properties of 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 131114204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).