3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole

C17H16N2O — CID 154838471

IUPAC3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c1-17(2,14-11-7-4-8-12-14)16-18-15(19-20-16)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyHBYUNZNVKKMKKC-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.06
Rot. Bonds3

About 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole

3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 154838471) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID154838471
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c1-17(2,14-11-7-4-8-12-14)16-18-15(19-20-16)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyHBYUNZNVKKMKKC-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 62488715
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
CID 101095799
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633252
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 5278385
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole (CID 154838471) is 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is HBYUNZNVKKMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-17(2,14-11-7-4-8-12-14)16-18-15(19-20-16)13-9-5-3-6-10-13/h3-12H,1-2H3.
What are the key properties of 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole?
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154838471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).