(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H17N5O2 — CID 110390914

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-18(17-21-20-16(25-17)14-6-2-1-3-7-14)23-12-10-22(11-13-23)15-8-4-5-9-19-15/h1-9H,10-13H2
InChIKeyIKACCATWKOBROM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.09
Rot. Bonds3

About (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110390914) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110390914
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-18(17-21-20-16(25-17)14-6-2-1-3-7-14)23-12-10-22(11-13-23)15-8-4-5-9-19-15/h1-9H,10-13H2
InChIKeyIKACCATWKOBROM-UHFFFAOYSA-N
XLogP2.09
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55503055
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 19837170
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
(5-phenyl-2-pyridinyl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 167843840
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110390914) is (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IKACCATWKOBROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(17-21-20-16(25-17)14-6-2-1-3-7-14)23-12-10-22(11-13-23)15-8-4-5-9-19-15/h1-9H,10-13H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 335.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110390914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).