3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole

C13H16N2O3 — CID 46043975

IUPAC3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(C)n2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-4-7-17-11-6-5-10(8-12(11)16-3)13-14-9(2)18-15-13/h5-6,8H,4,7H2,1-3H3
InChIKeyOVFYRXMDJXKITK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole

3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 46043975) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID46043975
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(C)n2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-4-7-17-11-6-5-10(8-12(11)16-3)13-14-9(2)18-15-13/h5-6,8H,4,7H2,1-3H3
InChIKeyOVFYRXMDJXKITK-UHFFFAOYSA-N
XLogP2.84
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
CID 616601
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20989432
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630163
3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 42851473
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole (CID 46043975) is 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole is CCCOc1ccc(-c2noc(C)n2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is OVFYRXMDJXKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-7-17-11-6-5-10(8-12(11)16-3)13-14-9(2)18-15-13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole?
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 248.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 46043975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).