3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

C14H16ClFN4O — CID 75433334

IUPAC3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)no1
InChIInChI=1S/C14H16ClFN4O/c1-10-17-14(18-21-10)9-19-4-6-20(7-5-19)13-3-2-11(16)8-12(13)15/h2-3,8H,4-7,9H2,1H3
InChIKeyIOEZSGRFHGDAIC-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.49
Rot. Bonds3

About 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 75433334) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID75433334
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)no1
InChIInChI=1S/C14H16ClFN4O/c1-10-17-14(18-21-10)9-19-4-6-20(7-5-19)13-3-2-11(16)8-12(13)15/h2-3,8H,4-7,9H2,1H3
InChIKeyIOEZSGRFHGDAIC-UHFFFAOYSA-N
XLogP2.49
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 133081723
3-Ethyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 40141357
N-(2-chlorophenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
CID 45807690
5-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 51075887
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine
CID 71863146
5-[[4-(2-Chlorophenyl)piperazin-1-yl]methyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 72120457
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 49745090
N-(2-chloro-4-fluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 4422192
1-{[3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-fluorophenyl)piperazine
CID 26406650
1-(4-Chlorophenyl)-4-{[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 42532498
1-(2-Fluorophenyl)-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 45597286
3-Tert-butyl-5-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 45869336

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 75433334) is 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)no1.
What is the InChIKey of 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is IOEZSGRFHGDAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-10-17-14(18-21-10)9-19-4-6-20(7-5-19)13-3-2-11(16)8-12(13)15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 310.76 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75433334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).