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

C21H23N3O3S — CID 97426971

IUPAC(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14(2)26-18-7-5-15(6-8-18)21(25)24-10-3-4-16(12-24)19-22-23-20(27-19)17-9-11-28-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3/t16-/m1/s1
InChIKeyQZLNKPICVWQFQF-MRXNPFEDSA-N
MW397.50 g/mol
LogP4.61
Rot. Bonds5

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

(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97426971) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID97426971
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14(2)26-18-7-5-15(6-8-18)21(25)24-10-3-4-16(12-24)19-22-23-20(27-19)17-9-11-28-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3/t16-/m1/s1
InChIKeyQZLNKPICVWQFQF-MRXNPFEDSA-N
XLogP4.61
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121069343
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555028
(2-methyl-1-benzofuran-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555029
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
2-(4-ethoxyphenoxy)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114636
(3-nitrophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114611
[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 110235585
[(3R)-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 92559499

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 97426971) is (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is QZLNKPICVWQFQF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14(2)26-18-7-5-15(6-8-18)21(25)24-10-3-4-16(12-24)19-22-23-20(27-19)17-9-11-28-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97426971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).