2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C18H18N2O3 — CID 110655620

IUPAC2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(C)ccc1OCc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)18-20-19-17(23-18)11-22-15-8-7-13(2)10-16(15)21-3/h4-10H,11H2,1-3H3
InChIKeyWKKNQOWXRSXJPD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.94
Rot. Bonds5

About 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 110655620) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID110655620
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(C)ccc1OCc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)18-20-19-17(23-18)11-22-15-8-7-13(2)10-16(15)21-3/h4-10H,11H2,1-3H3
InChIKeyWKKNQOWXRSXJPD-UHFFFAOYSA-N
XLogP3.94
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
CID 38833285
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655612
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39363718
2-(3-chloropropyl)-5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39416021
2-[(4-ethylsulfanylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 23660823
2-[(4-chloro-2-methylphenoxy)methyl]-5-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 92645269

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 110655620) is 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is COc1cc(C)ccc1OCc1nnc(-c2cccc(C)c2)o1.
What is the InChIKey of 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is WKKNQOWXRSXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)18-20-19-17(23-18)11-22-15-8-7-13(2)10-16(15)21-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).