5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C12H12N2O2 — CID 19658006

IUPAC5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C12H12N2O2/c1-15-10-4-2-3-9(7-10)11-13-12(16-14-11)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyDQBNVJLITBWRQF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.62
Rot. Bonds3

About 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 19658006) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID19658006
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C12H12N2O2/c1-15-10-4-2-3-9(7-10)11-13-12(16-14-11)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyDQBNVJLITBWRQF-UHFFFAOYSA-N
XLogP2.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4318183
5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 4024478
3-(3-methoxyphenyl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 99817783
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95829995

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 19658006) is 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DQBNVJLITBWRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-15-10-4-2-3-9(7-10)11-13-12(16-14-11)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19658006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).