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

C24H18N6O2 — CID 24799306

IUPAC3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C24H18N6O2/c31-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)24-25-15-22(32-24)19-7-4-8-20(26-19)23-27-29-30-28-23/h1-10,12-13,15H,11,14H2,(H,27,28,29,30)
InChIKeyXLRBLRVHHMWTKC-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.40
Rot. Bonds7

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

3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one (PubChem CID 24799306) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
PubChem CID24799306
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C24H18N6O2/c31-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)24-25-15-22(32-24)19-7-4-8-20(26-19)23-27-29-30-28-23/h1-10,12-13,15H,11,14H2,(H,27,28,29,30)
InChIKeyXLRBLRVHHMWTKC-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one (CID 24799306) is 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccc(-c3nn[nH]n3)n2)o1.
What is the InChIKey of 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is XLRBLRVHHMWTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)24-25-15-22(32-24)19-7-4-8-20(26-19)23-27-29-30-28-23/h1-10,12-13,15H,11,14H2,(H,27,28,29,30).
What are the key properties of 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one?
3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 422.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 24799306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).