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

C18H21N5O2S — CID 92580737

IUPAC(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O2S/c1-11(2)14-9-15(20-19-14)18(24)23-6-3-12(4-7-23)16-21-22-17(25-16)13-5-8-26-10-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyYZSSXPQMJHRMDF-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.66
Rot. Bonds4

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

(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 92580737) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID92580737
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O2S/c1-11(2)14-9-15(20-19-14)18(24)23-6-3-12(4-7-23)16-21-22-17(25-16)13-5-8-26-10-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyYZSSXPQMJHRMDF-UHFFFAOYSA-N
XLogP3.66
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 92580737) is (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YZSSXPQMJHRMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11(2)14-9-15(20-19-14)18(24)23-6-3-12(4-7-23)16-21-22-17(25-16)13-5-8-26-10-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 371.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92580737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).