5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole

C19H22N4OS — CID 133483568

IUPAC5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)16-12-25-18(20-16)15-9-6-10-23(11-15)19-21-17(24-22-19)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3
InChIKeyHXROYLXKWKKAGM-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.70
Rot. Bonds4

About 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole

5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 133483568) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID133483568
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)16-12-25-18(20-16)15-9-6-10-23(11-15)19-21-17(24-22-19)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3
InChIKeyHXROYLXKWKKAGM-UHFFFAOYSA-N
XLogP4.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
CID 70726722
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 59657771

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole (CID 133483568) is 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1csc(C2CCCN(c3noc(-c4ccccc4)n3)C2)n1.
What is the InChIKey of 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is HXROYLXKWKKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13(2)16-12-25-18(20-16)15-9-6-10-23(11-15)19-21-17(24-22-19)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3.
What are the key properties of 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole?
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 354.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).