3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole

C19H24N6O — CID 166243796

IUPAC3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)nnn1C1CCNC1
InChIInChI=1S/C19H24N6O/c1-12-16(22-24-25(12)15-9-10-20-11-15)18-21-17(23-26-18)13-5-7-14(8-6-13)19(2,3)4/h5-8,15,20H,9-11H2,1-4H3
InChIKeyLXKNAOZYNDEAAB-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.14
Rot. Bonds3

About 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole

3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 166243796) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID166243796
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)nnn1C1CCNC1
InChIInChI=1S/C19H24N6O/c1-12-16(22-24-25(12)15-9-10-20-11-15)18-21-17(23-26-18)13-5-7-14(8-6-13)19(2,3)4/h5-8,15,20H,9-11H2,1-4H3
InChIKeyLXKNAOZYNDEAAB-UHFFFAOYSA-N
XLogP3.14
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
4-methoxy-6-[5-methyl-1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
CID 175797208
3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833760
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
2-[5-methyl-1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175797205
3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
3-(4-tert-butylphenyl)-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 143992713

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole (CID 166243796) is 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole is Cc1c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)nnn1C1CCNC1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is LXKNAOZYNDEAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-16(22-24-25(12)15-9-10-20-11-15)18-21-17(23-26-18)13-5-7-14(8-6-13)19(2,3)4/h5-8,15,20H,9-11H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole?
3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 352.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166243796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).