4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one

C23H19N3O2 — CID 58316530

IUPAC4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one
SMILESO=C(CCCc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C23H19N3O2/c27-21(23-26-25-22(28-23)20-9-5-15-24-16-20)10-4-6-17-11-13-19(14-12-17)18-7-2-1-3-8-18/h1-3,5,7-9,11-16H,4,6,10H2
InChIKeyCXKHTHFNFOIXRX-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.00
Rot. Bonds7

About 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one

4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one (PubChem CID 58316530) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one
PubChem CID58316530
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one
SMILESO=C(CCCc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C23H19N3O2/c27-21(23-26-25-22(28-23)20-9-5-15-24-16-20)10-4-6-17-11-13-19(14-12-17)18-7-2-1-3-8-18/h1-3,5,7-9,11-16H,4,6,10H2
InChIKeyCXKHTHFNFOIXRX-UHFFFAOYSA-N
XLogP5.00
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
CID 148946555
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
1-(2-phenylphenyl)-4-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]butan-1-one
CID 159230522
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
2-[2-(2-phenylethyl)phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 68720518
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one
CID 24801394
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 69469895

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one?
The IUPAC name of 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one (CID 58316530) is 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one.
What is the SMILES notation for 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one?
The canonical SMILES for 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one is O=C(CCCc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccnc2)o1.
What is the InChIKey of 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one?
The InChIKey is CXKHTHFNFOIXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-21(23-26-25-22(28-23)20-9-5-15-24-16-20)10-4-6-17-11-13-19(14-12-17)18-7-2-1-3-8-18/h1-3,5,7-9,11-16H,4,6,10H2.
What are the key properties of 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one?
4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one has a molecular weight of 369.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one is sourced from PubChem (CID 58316530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).