1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one

C24H18N6O2 — CID 90741233

IUPAC1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C24H18N6O2/c31-19(13-16-9-11-18(12-10-16)17-5-2-1-3-6-17)14-23-25-15-22(32-23)20-7-4-8-21(26-20)24-27-29-30-28-24/h1-12,15H,13-14H2,(H,27,28,29,30)
InChIKeyCTROQZKBMWIALD-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one

1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one (PubChem CID 90741233) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
PubChem CID90741233
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C24H18N6O2/c31-19(13-16-9-11-18(12-10-16)17-5-2-1-3-6-17)14-23-25-15-22(32-23)20-7-4-8-21(26-20)24-27-29-30-28-24/h1-12,15H,13-14H2,(H,27,28,29,30)
InChIKeyCTROQZKBMWIALD-UHFFFAOYSA-N
XLogP3.94
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one with MolForge

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Related Compounds

3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
6-[2-[3-(4-Phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxamide
CID 24799118
6-[2-[3-(4-Phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxamide
CID 24799119
3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
CID 24799306
1-(5-(6-(1H-tetrazol-5-yl)pyridin-2-yl)oxazol-2-yl)-3-(4-(phenoxymethyl)phenyl)propan-1-one
CID 24800683
Methyl 6-(2-(3-(4'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)propanoyl)oxazol-5-yl)pyridine-2-carboxylate
CID 24801218
1-(5-(6-(1H-tetrazol-5-yl)pyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 24800681
Methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
CID 24799298
6-[2-[3-(4-Phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 24799299
6-[2-[3-(4-Phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxamide
CID 24801227
2,5-Bis(5-phenyl-2-oxazolyl)pyridine
CID 632561

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The IUPAC name of 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one (CID 90741233) is 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one.
What is the SMILES notation for 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The canonical SMILES for 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one is O=C(Cc1ccc(-c2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1.
What is the InChIKey of 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The InChIKey is CTROQZKBMWIALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-19(13-16-9-11-18(12-10-16)17-5-2-1-3-6-17)14-23-25-15-22(32-23)20-7-4-8-21(26-20)24-27-29-30-28-24/h1-12,15H,13-14H2,(H,27,28,29,30).
What are the key properties of 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one has a molecular weight of 422.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one is sourced from PubChem (CID 90741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).