(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one

C18H22N4O4 — CID 92613300

IUPAC(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C18H22N4O4/c1-3-14-18(24)19-9-10-22(14)16(23)8-7-15-20-17(21-26-15)12-5-4-6-13(11-12)25-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyWKAUHULHCYHTPC-CQSZACIVSA-N
MW358.40 g/mol
LogP1.41
Rot. Bonds6

About (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one

(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one (PubChem CID 92613300) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
PubChem CID92613300
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C18H22N4O4/c1-3-14-18(24)19-9-10-22(14)16(23)8-7-15-20-17(21-26-15)12-5-4-6-13(11-12)25-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyWKAUHULHCYHTPC-CQSZACIVSA-N
XLogP1.41
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one with MolForge

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Related Compounds

3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069964
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9303326
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
(1S,8R)-9-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154822449
9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074103
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 119065718
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
CID 25488769

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one (CID 92613300) is (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one?
The InChIKey is WKAUHULHCYHTPC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-14-18(24)19-9-10-22(14)16(23)8-7-15-20-17(21-26-15)12-5-4-6-13(11-12)25-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one?
(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one has a molecular weight of 358.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 92613300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).