1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

C15H20N4O3 — CID 124589224

IUPAC1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H](C)N1
InChIInChI=1S/C15H20N4O3/c1-10-7-19(8-11(2)16-10)14(20)4-3-13-17-15(18-22-13)12-5-6-21-9-12/h5-6,9-11,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyLOVKEFDNTBSDEX-GHMZBOCLSA-N
MW304.35 g/mol
LogP1.47
Rot. Bonds4

About 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 124589224) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID124589224
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H](C)N1
InChIInChI=1S/C15H20N4O3/c1-10-7-19(8-11(2)16-10)14(20)4-3-13-17-15(18-22-13)12-5-6-21-9-12/h5-6,9-11,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyLOVKEFDNTBSDEX-GHMZBOCLSA-N
XLogP1.47
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488103
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119580091
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55570142
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120729445
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863124

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 124589224) is 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is C[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H](C)N1.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is LOVKEFDNTBSDEX-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-7-19(8-11(2)16-10)14(20)4-3-13-17-15(18-22-13)12-5-6-21-9-12/h5-6,9-11,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 304.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 124589224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).