(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H19N3O2S — CID 95849840

IUPAC(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)19(23)22-10-4-7-14(12-22)17-20-21-18(24-17)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3/t14-/m1/s1
InChIKeyKMOVUMPGBWDRIZ-CQSZACIVSA-N
MW353.45 g/mol
LogP4.13
Rot. Bonds3

About (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95849840) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95849840
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)19(23)22-10-4-7-14(12-22)17-20-21-18(24-17)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3/t14-/m1/s1
InChIKeyKMOVUMPGBWDRIZ-CQSZACIVSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-nitrophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068814
(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068792
(4-phenylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068824
2-methyl-1-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895985
(3S)-N-ethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 51896006
naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068822
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068888
(2-bromo-5-methoxyphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068780
(3-methoxyphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849844
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 95849840) is (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is KMOVUMPGBWDRIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)19(23)22-10-4-7-14(12-22)17-20-21-18(24-17)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95849840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).