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

C11H12N2O3 — CID 67274190

IUPAC2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C11H12N2O3/c1-14-7-10-12-13-11(16-10)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyIZNOYWSUAJJZRF-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.89
Rot. Bonds4

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

2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 67274190) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID67274190
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C11H12N2O3/c1-14-7-10-12-13-11(16-10)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyIZNOYWSUAJJZRF-UHFFFAOYSA-N
XLogP1.89
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 67274190) is 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COCc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is IZNOYWSUAJJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-7-10-12-13-11(16-10)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 220.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).