(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C18H18ClN5O2 — CID 59347526

IUPAC(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2nnc(Cn3cccn3)o2)CC1
InChIInChI=1S/C18H18ClN5O2/c19-15-4-1-3-14(11-15)18(25)23-9-5-13(6-10-23)17-22-21-16(26-17)12-24-8-2-7-20-24/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyQKRYTXBWEYTQJQ-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.99
Rot. Bonds4

About (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 59347526) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID59347526
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2nnc(Cn3cccn3)o2)CC1
InChIInChI=1S/C18H18ClN5O2/c19-15-4-1-3-14(11-15)18(25)23-9-5-13(6-10-23)17-22-21-16(26-17)12-24-8-2-7-20-24/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyQKRYTXBWEYTQJQ-UHFFFAOYSA-N
XLogP2.99
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 59347526) is (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(c2nnc(Cn3cccn3)o2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is QKRYTXBWEYTQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-15-4-1-3-14(11-15)18(25)23-9-5-13(6-10-23)17-22-21-16(26-17)12-24-8-2-7-20-24/h1-4,7-8,11,13H,5-6,9-10,12H2.
What are the key properties of (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 371.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[5-(pyrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59347526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).