(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one

C15H24N4O3 — CID 95280047

IUPAC(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
SMILESCC(C)c1noc([C@H](C)N2CCN([C@@H]3CCOC3=O)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-10(2)13-16-14(22-17-13)11(3)18-5-7-19(8-6-18)12-4-9-21-15(12)20/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyBDPYKBWKNQYGJI-NWDGAFQWSA-N
MW308.38 g/mol
LogP1.19
Rot. Bonds4

About (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one

(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one (PubChem CID 95280047) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
PubChem CID95280047
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
SMILESCC(C)c1noc([C@H](C)N2CCN([C@@H]3CCOC3=O)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-10(2)13-16-14(22-17-13)11(3)18-5-7-19(8-6-18)12-4-9-21-15(12)20/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyBDPYKBWKNQYGJI-NWDGAFQWSA-N
XLogP1.19
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
(3R,5R)-3-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95281872
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95278614
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329
2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile
CID 55201972
3-[4-(1-aminoethyl)piperidin-1-yl]oxolan-2-one
CID 63597112
tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
CID 60512395
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one (CID 95280047) is (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one is CC(C)c1noc([C@H](C)N2CCN([C@@H]3CCOC3=O)CC2)n1.
What is the InChIKey of (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is BDPYKBWKNQYGJI-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)13-16-14(22-17-13)11(3)18-5-7-19(8-6-18)12-4-9-21-15(12)20/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one?
(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95280047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).