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

C20H22N4O2S — CID 110612137

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nnc(C2CCN(C(=O)CCc3csc(-c4ccccc4)n3)CC2)o1
InChIInChI=1S/C20H22N4O2S/c1-14-22-23-19(26-14)15-9-11-24(12-10-15)18(25)8-7-17-13-27-20(21-17)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3
InChIKeySKHLQEHMYWNSIC-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.84
Rot. Bonds5

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 110612137) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID110612137
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nnc(C2CCN(C(=O)CCc3csc(-c4ccccc4)n3)CC2)o1
InChIInChI=1S/C20H22N4O2S/c1-14-22-23-19(26-14)15-9-11-24(12-10-15)18(25)8-7-17-13-27-20(21-17)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3
InChIKeySKHLQEHMYWNSIC-UHFFFAOYSA-N
XLogP3.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110618137
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628804
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110610717
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one (CID 110612137) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one is Cc1nnc(C2CCN(C(=O)CCc3csc(-c4ccccc4)n3)CC2)o1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is SKHLQEHMYWNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-22-23-19(26-14)15-9-11-24(12-10-15)18(25)8-7-17-13-27-20(21-17)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 382.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 110612137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).