3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one

C19H25FN4O2 — CID 120735949

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)18-22-16(26-23-18)7-8-17(25)24-10-9-21-12-15(24)13-5-4-6-14(20)11-13/h4-6,11,15,21H,7-10,12H2,1-3H3
InChIKeyGESAVJIMPONKKP-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 120735949) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID120735949
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)18-22-16(26-23-18)7-8-17(25)24-10-9-21-12-15(24)13-5-4-6-14(20)11-13/h4-6,11,15,21H,7-10,12H2,1-3H3
InChIKeyGESAVJIMPONKKP-UHFFFAOYSA-N
XLogP2.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120737020
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120737519
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120733188
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120740014
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one (CID 120735949) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one is CC(C)(C)c1noc(CCC(=O)N2CCNCC2c2cccc(F)c2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GESAVJIMPONKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-19(2,3)18-22-16(26-23-18)7-8-17(25)24-10-9-21-12-15(24)13-5-4-6-14(20)11-13/h4-6,11,15,21H,7-10,12H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 360.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).