5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole

C20H21FN2O3 — CID 46052916

IUPAC5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C(C)(C)C)n2)ccc1OCc1ccccc1F
InChIInChI=1S/C20H21FN2O3/c1-20(2,3)19-22-18(23-26-19)13-9-10-16(17(11-13)24-4)25-12-14-7-5-6-8-15(14)21/h5-11H,12H2,1-4H3
InChIKeyWJCAZOFOACPIID-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.76
Rot. Bonds5

About 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole

5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole (PubChem CID 46052916) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole
PubChem CID46052916
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C(C)(C)C)n2)ccc1OCc1ccccc1F
InChIInChI=1S/C20H21FN2O3/c1-20(2,3)19-22-18(23-26-19)13-9-10-16(17(11-13)24-4)25-12-14-7-5-6-8-15(14)21/h5-11H,12H2,1-4H3
InChIKeyWJCAZOFOACPIID-UHFFFAOYSA-N
XLogP4.76
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-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-tert-butyl-3-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole
CID 46052926
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 43819048
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799127
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
(2-fluorophenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 8524767
5-tert-butyl-3-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 129216482
2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 154811104

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole (CID 46052916) is 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole is COc1cc(-c2noc(C(C)(C)C)n2)ccc1OCc1ccccc1F.
What is the InChIKey of 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole?
The InChIKey is WJCAZOFOACPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-20(2,3)19-22-18(23-26-19)13-9-10-16(17(11-13)24-4)25-12-14-7-5-6-8-15(14)21/h5-11H,12H2,1-4H3.
What are the key properties of 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole has a molecular weight of 356.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46052916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).