3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H23N3O3 — CID 102781193

IUPAC3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3NCCC3C)n2)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-3-19-14(5-8-18-9-6-14)13-16-12(20-17-13)11-10(2)4-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyOBZYDIMYTPWLPP-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.78
Rot. Bonds4

About 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102781193) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID102781193
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3NCCC3C)n2)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-3-19-14(5-8-18-9-6-14)13-16-12(20-17-13)11-10(2)4-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyOBZYDIMYTPWLPP-UHFFFAOYSA-N
XLogP1.78
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071052
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
3-(1-methoxy-4,4-dimethylcyclohexyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781201
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(1-ethoxycycloheptyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900902
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116742254
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 102781193) is 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3NCCC3C)n2)CCOCC1.
What is the InChIKey of 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is OBZYDIMYTPWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-14(5-8-18-9-6-14)13-16-12(20-17-13)11-10(2)4-7-15-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102781193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).