5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole

C89H101BrClF2N27O9 — CID 157471628

IUPAC5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole
SMILESCC(C)c1noc(-c2cc(Br)ccn2)n1.CC(C)c1noc(-c2cc(Cl)ccn2)n1.CC(C)c1noc(-c2ccc(F)cn2)n1.CC(C)c1noc(-c2ncccc2F)n1.CC(C)c1noc(Cc2ccccn2)n1.CC(C)n1ccnn1.COc1cccc(-c2nc(C(C)C)no2)n1.Cc1ccc(-c2nc(C(C)C)no2)nc1.Cc1cccnc1-c1nc(C(C)C)no1
InChIInChI=1S/C11H13N3O2.3C11H13N3O.C10H10BrN3O.C10H10ClN3O.2C10H10FN3O.C5H9N3/c1-7(2)10-13-11(16-14-10)8-5-4-6-9(12-8)15-3;1-7(2)10-13-11(15-14-10)9-5-4-8(3)6-12-9;1-7(2)10-13-11(15-14-10)9-8(3)5-4-6-12-9;1-8(2)11-13-10(15-14-11)7-9-5-3-4-6-12-9;2*1-6(2)9-13-10(15-14-9)8-5-7(11)3-4-12-8;1-6(2)9-13-10(15-14-9)8-4-3-7(11)5-12-8;1-6(2)9-13-10(15-14-9)8-7(11)4-3-5-12-8;1-5(2)8-4-3-6-7-8/h4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBVCJDQPKEVTFIS-UHFFFAOYSA-N
MW1846.32 g/mol
LogP21.14
Rot. Bonds19

About 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole

5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole (PubChem CID 157471628) has the molecular formula C89H101BrClF2N27O9 and a molecular weight of 1846.32 g/mol. Its IUPAC name is 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole.

Molecular Properties

Compound Name5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole
PubChem CID157471628
Molecular FormulaC89H101BrClF2N27O9
Molecular Weight1846.32 g/mol
Exact Mass1843.71
IUPAC Name5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole
SMILESCC(C)c1noc(-c2cc(Br)ccn2)n1.CC(C)c1noc(-c2cc(Cl)ccn2)n1.CC(C)c1noc(-c2ccc(F)cn2)n1.CC(C)c1noc(-c2ncccc2F)n1.CC(C)c1noc(Cc2ccccn2)n1.CC(C)n1ccnn1.COc1cccc(-c2nc(C(C)C)no2)n1.Cc1ccc(-c2nc(C(C)C)no2)nc1.Cc1cccnc1-c1nc(C(C)C)no1
InChIInChI=1S/C11H13N3O2.3C11H13N3O.C10H10BrN3O.C10H10ClN3O.2C10H10FN3O.C5H9N3/c1-7(2)10-13-11(16-14-10)8-5-4-6-9(12-8)15-3;1-7(2)10-13-11(15-14-10)9-5-4-8(3)6-12-9;1-7(2)10-13-11(15-14-10)9-8(3)5-4-6-12-9;1-8(2)11-13-10(15-14-11)7-9-5-3-4-6-12-9;2*1-6(2)9-13-10(15-14-9)8-5-7(11)3-4-12-8;1-6(2)9-13-10(15-14-9)8-4-3-7(11)5-12-8;1-6(2)9-13-10(15-14-9)8-7(11)4-3-5-12-8;1-5(2)8-4-3-6-7-8/h4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBVCJDQPKEVTFIS-UHFFFAOYSA-N
XLogP21.14
TPSA454.42 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.32
LogP ≤ 521.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

2-Bromo-6-(1-propan-2-yltriazol-4-yl)pyridine;5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methoxy-6-(1-propan-2-yltriazol-4-yl)pyridine;2-methyl-6-(1-propan-2-yltriazol-4-yl)pyridine;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole;2-(1-propan-2-yltriazol-4-yl)pyridine
CID 157113538
5-[1-(2-Bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 158537938

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole?
The IUPAC name of 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole (CID 157471628) is 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole.
What is the SMILES notation for 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole?
The canonical SMILES for 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole is CC(C)c1noc(-c2cc(Br)ccn2)n1.CC(C)c1noc(-c2cc(Cl)ccn2)n1.CC(C)c1noc(-c2ccc(F)cn2)n1.CC(C)c1noc(-c2ncccc2F)n1.CC(C)c1noc(Cc2ccccn2)n1.CC(C)n1ccnn1.COc1cccc(-c2nc(C(C)C)no2)n1.Cc1ccc(-c2nc(C(C)C)no2)nc1.Cc1cccnc1-c1nc(C(C)C)no1.
What is the InChIKey of 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole?
The InChIKey is BVCJDQPKEVTFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.3C11H13N3O.C10H10BrN3O.C10H10ClN3O.2C10H10FN3O.C5H9N3/c1-7(2)10-13-11(16-14-10)8-5-4-6-9(12-8)15-3;1-7(2)10-13-11(15-14-10)9-5-4-8(3)6-12-9;1-7(2)10-13-11(15-14-10)9-8(3)5-4-6-12-9;1-8(2)11-13-10(15-14-11)7-9-5-3-4-6-12-9;2*1-6(2)9-13-10(15-14-9)8-5-7(11)3-4-12-8;1-6(2)9-13-10(15-14-9)8-4-3-7(11)5-12-8;1-6(2)9-13-10(15-14-9)8-7(11)4-3-5-12-8;1-5(2)8-4-3-6-7-8/h4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole?
5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole has a molecular weight of 1846.32 g/mol, XLogP of 21.14, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-chloro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-fluoro-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole;1-propan-2-yltriazole is sourced from PubChem (CID 157471628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).