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

C12H14N2O2 — CID 143434606

IUPAC3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C12H14N2O2/c1-3-5-11-13-12(14-16-11)9-6-4-7-10(8-9)15-2/h4,6-8H,3,5H2,1-2H3
InChIKeyOBYUQOAKKRTKOA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.70
Rot. Bonds4

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

3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole (PubChem CID 143434606) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
PubChem CID143434606
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C12H14N2O2/c1-3-5-11-13-12(14-16-11)9-6-4-7-10(8-9)15-2/h4,6-8H,3,5H2,1-2H3
InChIKeyOBYUQOAKKRTKOA-UHFFFAOYSA-N
XLogP2.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-(3-methoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 41299285
5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 126779977
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83284747
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 110324199
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole (CID 143434606) is 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole?
The InChIKey is OBYUQOAKKRTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-5-11-13-12(14-16-11)9-6-4-7-10(8-9)15-2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 143434606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).