cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

C16H18N4O2 — CID 44783596

IUPACcyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCNCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H18N4O2/c21-16(12-6-7-12)20-9-8-17-10-13(20)15-18-14(19-22-15)11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2
InChIKeyNUBMXVCWTGXOJQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.62
Rot. Bonds3

About cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 44783596) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID44783596
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namecyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCNCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H18N4O2/c21-16(12-6-7-12)20-9-8-17-10-13(20)15-18-14(19-22-15)11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2
InChIKeyNUBMXVCWTGXOJQ-UHFFFAOYSA-N
XLogP1.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
[4-(benzenesulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-cyclopropylmethanone
CID 44783720
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
cyclohexyl-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813131
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608
1-[(2R)-2-[3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 69263901
1-[(2R)-2-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 68688015
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361075

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (CID 44783596) is cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCNCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is NUBMXVCWTGXOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(12-6-7-12)20-9-8-17-10-13(20)15-18-14(19-22-15)11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2.
What are the key properties of cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 44783596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).