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

C14H16N2O3 — CID 72925037

IUPAC5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-18-12-5-3-10(4-6-12)14-15-13(16-19-14)11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3
InChIKeySUFHLXLXGMKBDW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.64
Rot. Bonds4

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

5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72925037) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72925037
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-18-12-5-3-10(4-6-12)14-15-13(16-19-14)11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3
InChIKeySUFHLXLXGMKBDW-UHFFFAOYSA-N
XLogP2.64
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
CID 97443354
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72925037) is 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(C3CCOC3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is SUFHLXLXGMKBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-18-12-5-3-10(4-6-12)14-15-13(16-19-14)11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 260.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72925037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).