5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

C15H14N4O — CID 42585031

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H14N4O/c1-9-3-2-4-11(7-9)14-16-15(20-19-14)13-8-12(17-18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,17,18)
InChIKeyKTSNLJKZCUHCBD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.31
Rot. Bonds3

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 42585031) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID42585031
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H14N4O/c1-9-3-2-4-11(7-9)14-16-15(20-19-14)13-8-12(17-18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,17,18)
InChIKeyKTSNLJKZCUHCBD-UHFFFAOYSA-N
XLogP3.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42585033
3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16824633
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 94069176
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446214
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120839400
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 42585031) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is KTSNLJKZCUHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-3-2-4-11(7-9)14-16-15(20-19-14)13-8-12(17-18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,17,18).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).