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

C15H20N2O2 — CID 64764031

IUPAC2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccccc2C(C)(C)C)o1
InChIInChI=1S/C15H20N2O2/c1-5-13-16-17-14(19-13)10-18-12-9-7-6-8-11(12)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyIRNIOCCATXXMRA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.51
Rot. Bonds4

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

2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 64764031) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID64764031
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccccc2C(C)(C)C)o1
InChIInChI=1S/C15H20N2O2/c1-5-13-16-17-14(19-13)10-18-12-9-7-6-8-11(12)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyIRNIOCCATXXMRA-UHFFFAOYSA-N
XLogP3.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503948
2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823
2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
CID 91652636
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 138998581
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695794
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (CID 64764031) is 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(COc2ccccc2C(C)(C)C)o1.
What is the InChIKey of 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is IRNIOCCATXXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-13-16-17-14(19-13)10-18-12-9-7-6-8-11(12)15(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 3.51, 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-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 64764031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).