2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C14H21N3O4 — CID 97444084

IUPAC2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H21N3O4/c1-19-9-12(18)17-5-2-10(3-6-17)14-15-13(16-21-14)11-4-7-20-8-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyRLSFYBUFWBZATG-LLVKDONJSA-N
MW295.34 g/mol
LogP0.93
Rot. Bonds4

About 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 97444084) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID97444084
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H21N3O4/c1-19-9-12(18)17-5-2-10(3-6-17)14-15-13(16-21-14)11-4-7-20-8-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyRLSFYBUFWBZATG-LLVKDONJSA-N
XLogP0.93
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 72887314
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456630
(3-methoxyphenyl)-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 72899208
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
1-[4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 72941150
(6-methoxy-3-pyridinyl)-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918773
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
2-methoxy-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102358
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 65330720
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 97444084) is 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is RLSFYBUFWBZATG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-19-9-12(18)17-5-2-10(3-6-17)14-15-13(16-21-14)11-4-7-20-8-11/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97444084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).