3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole

C20H22N2O3 — CID 42851473

IUPAC3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C(C)C)n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)20-21-19(22-25-20)16-9-10-17(18(11-16)23-4)24-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3
InChIKeyNLRFWVRQXNWCRK-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.76
Rot. Bonds6

About 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 42851473) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID42851473
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C(C)C)n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)20-21-19(22-25-20)16-9-10-17(18(11-16)23-4)24-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3
InChIKeyNLRFWVRQXNWCRK-UHFFFAOYSA-N
XLogP4.76
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-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

5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[(4-methylphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 71496709
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630163

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 42851473) is 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole is COc1cc(-c2noc(C(C)C)n2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NLRFWVRQXNWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)20-21-19(22-25-20)16-9-10-17(18(11-16)23-4)24-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3.
What are the key properties of 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 42851473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).