3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C14H23N3O3 — CID 99727967

IUPAC3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1CN[C@@H](c2nc(CCOCC3CCOCC3)no2)C1
InChIInChI=1S/C14H23N3O3/c1-2-12(15-6-1)14-16-13(17-20-14)5-9-19-10-11-3-7-18-8-4-11/h11-12,15H,1-10H2/t12-/m1/s1
InChIKeyKCRPCZMZDSWWTA-GFCCVEGCSA-N
MW281.36 g/mol
LogP1.48
Rot. Bonds6

About 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 99727967) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID99727967
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1CN[C@@H](c2nc(CCOCC3CCOCC3)no2)C1
InChIInChI=1S/C14H23N3O3/c1-2-12(15-6-1)14-16-13(17-20-14)5-9-19-10-11-3-7-18-8-4-11/h11-12,15H,1-10H2/t12-/m1/s1
InChIKeyKCRPCZMZDSWWTA-GFCCVEGCSA-N
XLogP1.48
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-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

3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 130991357
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
2-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)acetaldehyde
CID 115077838
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
1-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 130964669
3-(tert-butylsulfanylmethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900602

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 99727967) is 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is C1CN[C@@H](c2nc(CCOCC3CCOCC3)no2)C1.
What is the InChIKey of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is KCRPCZMZDSWWTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-12(15-6-1)14-16-13(17-20-14)5-9-19-10-11-3-7-18-8-4-11/h11-12,15H,1-10H2/t12-/m1/s1.
What are the key properties of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99727967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).