3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole

C15H19N3O3 — CID 43519282

IUPAC3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3CC(OC)CN3)n2)c1
InChIInChI=1S/C15H19N3O3/c1-3-20-11-6-4-5-10(7-11)14-17-15(21-18-14)13-8-12(19-2)9-16-13/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyPAEUYGBEODIDMJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.18
Rot. Bonds5

About 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole

3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 43519282) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID43519282
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3CC(OC)CN3)n2)c1
InChIInChI=1S/C15H19N3O3/c1-3-20-11-6-4-5-10(7-11)14-17-15(21-18-14)13-8-12(19-2)9-16-13/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyPAEUYGBEODIDMJ-UHFFFAOYSA-N
XLogP2.18
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
2-methoxy-4-[5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136879277
3-(3-bromo-4-methoxyphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950705
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 154735478
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
5-(4-methoxypyrrolidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876959
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
3-(4-fluoro-2-methylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467090

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole (CID 43519282) is 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole is CCOc1cccc(-c2noc(C3CC(OC)CN3)n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is PAEUYGBEODIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-11-6-4-5-10(7-11)14-17-15(21-18-14)13-8-12(19-2)9-16-13/h4-7,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 43519282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).