3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole

C17H16N2O — CID 2742618

IUPAC3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O/c1-2-6-13-9-11-15(12-10-13)17-18-16(19-20-17)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKeyCIALLAQKLLRMHY-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.36
Rot. Bonds4

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

3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 2742618) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID2742618
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O/c1-2-6-13-9-11-15(12-10-13)17-18-16(19-20-17)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKeyCIALLAQKLLRMHY-UHFFFAOYSA-N
XLogP4.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ataluren
CID 11219835
1-({4-[5-(4-Cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 9979368
1-({4-[5-(4-Butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10045980
1-({4-[5-(4-Cyclopentylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10408874
Merck SIP Agonist
CID 10430549
1-[(4-{5-[4-(3,3,3-Trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
CID 11743459
3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
CID 11208732
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 10491405
cis-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]amino}cyclobutanecarboxylic acid
CID 42610387

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole (CID 2742618) is 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is CIALLAQKLLRMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-6-13-9-11-15(12-10-13)17-18-16(19-20-17)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3.
What are the key properties of 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).