benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole

C18H20N2O — CID 22354178

IUPACbenzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnco2)cc1.c1ccccc1
InChIInChI=1S/C12H14N2O.C6H6/c1-12(2,3)10-6-4-9(5-7-10)11-14-13-8-15-11;1-2-4-6-5-3-1/h4-8H,1-3H3;1-6H
InChIKeyRWNSGFMBBYUGFV-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.72
Rot. Bonds1

About benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole

benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole (PubChem CID 22354178) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Namebenzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
PubChem CID22354178
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Namebenzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnco2)cc1.c1ccccc1
InChIInChI=1S/C12H14N2O.C6H6/c1-12(2,3)10-6-4-9(5-7-10)11-14-13-8-15-11;1-2-4-6-5-3-1/h4-8H,1-3H3;1-6H
InChIKeyRWNSGFMBBYUGFV-UHFFFAOYSA-N
XLogP4.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole?
The IUPAC name of benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole (CID 22354178) is benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnco2)cc1.c1ccccc1.
What is the InChIKey of benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole?
The InChIKey is RWNSGFMBBYUGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C6H6/c1-12(2,3)10-6-4-9(5-7-10)11-14-13-8-15-11;1-2-4-6-5-3-1/h4-8H,1-3H3;1-6H.
What are the key properties of benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole?
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22354178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).