2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

C19H20N2O2 — CID 110655564

IUPAC2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccccc1OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)15-11-7-8-12-16(15)22-13-17-20-21-18(23-17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyWMAWZZUGTUOEEQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.61
Rot. Bonds4

About 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110655564) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110655564
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccccc1OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)15-11-7-8-12-16(15)22-13-17-20-21-18(23-17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyWMAWZZUGTUOEEQ-UHFFFAOYSA-N
XLogP4.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 64764031
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (CID 110655564) is 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is CC(C)(C)c1ccccc1OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WMAWZZUGTUOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)15-11-7-8-12-16(15)22-13-17-20-21-18(23-17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110655564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).