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

C12H16F2N4O2 — CID 155952128

IUPACcyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nc(C(F)F)no2)CC1
InChIInChI=1S/C12H16F2N4O2/c13-10(14)11-15-9(20-16-11)7-17-3-5-18(6-4-17)12(19)8-1-2-8/h8,10H,1-7H2
InChIKeyPBJYWKNITSVXGY-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.06
Rot. Bonds4

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

cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 155952128) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID155952128
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Namecyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nc(C(F)F)no2)CC1
InChIInChI=1S/C12H16F2N4O2/c13-10(14)11-15-9(20-16-11)7-17-3-5-18(6-4-17)12(19)8-1-2-8/h8,10H,1-7H2
InChIKeyPBJYWKNITSVXGY-UHFFFAOYSA-N
XLogP1.06
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 125147274
[(1S,3R)-3-aminocyclopentyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696345
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119896103
[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696340
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
(4-benzylpiperazin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151790
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-pyrrolidin-2-ylmethanone
CID 119900039
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 38147632
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 155952128) is cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2nc(C(F)F)no2)CC1.
What is the InChIKey of cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is PBJYWKNITSVXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c13-10(14)11-15-9(20-16-11)7-17-3-5-18(6-4-17)12(19)8-1-2-8/h8,10H,1-7H2.
What are the key properties of cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 286.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155952128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).