3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole

C14H18N2O3 — CID 874870

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cc2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C14H18N2O3/c1-4-5-14-15-13(16-19-14)9-10-6-7-11(17-2)12(8-10)18-3/h6-8H,4-5,9H2,1-3H3
InChIKeySNYYILOXGXWPMW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.63
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 874870) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID874870
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cc2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C14H18N2O3/c1-4-5-14-15-13(16-19-14)9-10-6-7-11(17-2)12(8-10)18-3/h6-8H,4-5,9H2,1-3H3
InChIKeySNYYILOXGXWPMW-UHFFFAOYSA-N
XLogP2.63
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 2731143
methyl 1-{[3-(3,4-dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]methyl}-L-prolinate
CID 16189819
3-[3-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 667125
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 888680
3-(3,4-Dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 912578
3-(3,4-Dimethoxybenzyl)-5-phenyl-1,2,4-oxadiazole
CID 1367566
3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-phenethylpropanamide
CID 1941482
3-(4-Ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 2981021
2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile
CID 4961962
1-[3-(3,4-dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 16189147
1-{[3-(3,4-Dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methoxyethyl)piperazine
CID 16190170
3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 667094

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole (CID 874870) is 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cc2ccc(OC)c(OC)c2)no1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is SNYYILOXGXWPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-5-14-15-13(16-19-14)9-10-6-7-11(17-2)12(8-10)18-3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 874870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).