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

C19H16N4O — CID 53138470

IUPAC5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1
InChIInChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)19-21-18(22-24-19)16-5-3-4-15(12-16)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyHOTBMUXTCFNXKN-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.11
Rot. Bonds3

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

5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138470) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138470
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1
InChIInChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)19-21-18(22-24-19)16-5-3-4-15(12-16)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyHOTBMUXTCFNXKN-UHFFFAOYSA-N
XLogP4.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
5-(4-Butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2055443
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
5-(4-Phenylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 2259039
methyl 4-[5-({ethyl[2-(1H-pyrazol-1-yl)ethyl]amino}methyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 16188245
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
Methyl 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoate
CID 57391213
4-[5-[5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 57396479
3-[5-[5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]propanoic acid
CID 57398267

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138470) is 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is HOTBMUXTCFNXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)19-21-18(22-24-19)16-5-3-4-15(12-16)17-10-11-20-23(17)2/h3-12H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).