4-(3-tert-butylphenyl)-5-phenyloxadiazole

C18H18N2O — CID 22023102

IUPAC4-(3-tert-butylphenyl)-5-phenyloxadiazole
SMILESCC(C)(C)c1cccc(-c2nnoc2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-11-7-10-14(12-15)16-17(21-20-19-16)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyIPRAFPKIAMNBAD-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.70
Rot. Bonds2

About 4-(3-tert-butylphenyl)-5-phenyloxadiazole

4-(3-tert-butylphenyl)-5-phenyloxadiazole (PubChem CID 22023102) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-5-phenyloxadiazole.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-5-phenyloxadiazole
PubChem CID22023102
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(3-tert-butylphenyl)-5-phenyloxadiazole
SMILESCC(C)(C)c1cccc(-c2nnoc2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-11-7-10-14(12-15)16-17(21-20-19-16)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyIPRAFPKIAMNBAD-UHFFFAOYSA-N
XLogP4.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-5-phenyloxadiazole?
The IUPAC name of 4-(3-tert-butylphenyl)-5-phenyloxadiazole (CID 22023102) is 4-(3-tert-butylphenyl)-5-phenyloxadiazole.
What is the SMILES notation for 4-(3-tert-butylphenyl)-5-phenyloxadiazole?
The canonical SMILES for 4-(3-tert-butylphenyl)-5-phenyloxadiazole is CC(C)(C)c1cccc(-c2nnoc2-c2ccccc2)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)-5-phenyloxadiazole?
The InChIKey is IPRAFPKIAMNBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)15-11-7-10-14(12-15)16-17(21-20-19-16)13-8-5-4-6-9-13/h4-12H,1-3H3.
What are the key properties of 4-(3-tert-butylphenyl)-5-phenyloxadiazole?
4-(3-tert-butylphenyl)-5-phenyloxadiazole has a molecular weight of 278.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-5-phenyloxadiazole is sourced from PubChem (CID 22023102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).