5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C14H23N3O3 — CID 97456630

IUPAC5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOCCN1CCC(c2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H23N3O3/c1-18-9-7-17-5-2-11(3-6-17)14-15-13(16-20-14)12-4-8-19-10-12/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyHOUPGLRPCQUFJC-LBPRGKRZSA-N
MW281.36 g/mol
LogP1.40
Rot. Bonds5

About 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97456630) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97456630
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOCCN1CCC(c2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H23N3O3/c1-18-9-7-17-5-2-11(3-6-17)14-15-13(16-20-14)12-4-8-19-10-12/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyHOUPGLRPCQUFJC-LBPRGKRZSA-N
XLogP1.40
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 97444084
2-methoxy-1-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 72887314
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041
5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051
(3-methoxyphenyl)-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 72899208
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96999620
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
CID 111332747
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97456630) is 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is COCCN1CCC(c2nc([C@H]3CCOC3)no2)CC1.
What is the InChIKey of 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is HOUPGLRPCQUFJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-18-9-7-17-5-2-11(3-6-17)14-15-13(16-20-14)12-4-8-19-10-12/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97456630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).