3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C16H19FN4O — CID 143660624

IUPAC3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(CN4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-16)15-19-14(22-20-15)11-21-9-7-18-8-10-21/h1-4,18H,5-11H2
InChIKeyIRNSMEQGENRZHF-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.69
Rot. Bonds4

About 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 143660624) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID143660624
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(CN4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-16)15-19-14(22-20-15)11-21-9-7-18-8-10-21/h1-4,18H,5-11H2
InChIKeyIRNSMEQGENRZHF-UHFFFAOYSA-N
XLogP1.69
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)cyclohexyl]-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 70307987
1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 173138107
3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 166239044
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29257322
5-(1,4-diazepan-1-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690233
3-[(2-fluorophenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62312249
5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 24896191
N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide
CID 143660616
3-(2-bromo-3,4-difluorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 107537299
3-(3-chloro-4-fluorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092587
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 143660624) is 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Fc1ccc(C2(c3noc(CN4CCNCC4)n3)CC2)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IRNSMEQGENRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-16)15-19-14(22-20-15)11-21-9-7-18-8-10-21/h1-4,18H,5-11H2.
What are the key properties of 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 302.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 143660624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).