2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole

C25H16N6O — CID 140997323

IUPAC2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3nn[nH]n3)c(-c3ccccn3)c(-c3ncco3)c3ccccc23)cc1
InChIInChI=1S/C25H16N6O/c1-2-8-16(9-3-1)20-17-10-4-5-11-18(17)21(25-27-14-15-32-25)22(19-12-6-7-13-26-19)23(20)24-28-30-31-29-24/h1-15H,(H,28,29,30,31)
InChIKeyPPAQBQAAGFMJIZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.40
Rot. Bonds4

About 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole

2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole (PubChem CID 140997323) has the molecular formula C25H16N6O and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole
PubChem CID140997323
Molecular FormulaC25H16N6O
Molecular Weight416.44 g/mol
Exact Mass416.14
IUPAC Name2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3nn[nH]n3)c(-c3ccccn3)c(-c3ncco3)c3ccccc23)cc1
InChIInChI=1S/C25H16N6O/c1-2-8-16(9-3-1)20-17-10-4-5-11-18(17)21(25-27-14-15-32-25)22(19-12-6-7-13-26-19)23(20)24-28-30-31-29-24/h1-15H,(H,28,29,30,31)
InChIKeyPPAQBQAAGFMJIZ-UHFFFAOYSA-N
XLogP5.40
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(5-(6-(1H-tetrazol-5-yl)pyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 24800681
5-Naphthalen-1-yl-2-(2-pyridin-2-ylphenyl)-1,3-oxazole
CID 166442648
5-({[6-(2-Phenyl-1,3-oxazol-5-yl)-2-naphthyl]oxy}methyl)-1H-tetraazole
CID 11552415
Pyrene;2-pyridin-2-yl-1,3-oxazole
CID 87191168
1-(4-phenylphenyl)-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
CID 90741233
1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
CID 91245475
2-[6-[2-Naphthalen-1-yl-10-[5-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 117638968
2-[4-[4-[2-(2,3-dihydro-1,3-oxazol-2-yl)-4-pyridinyl]-2-[(1Z,3Z)-penta-1,3-dienyl]-6-phenylnaphthalen-1-yl]-2-pyridinyl]-1,3-oxazole
CID 117638970
2-[4-[10-[2-(2,3-Dihydro-1,3-oxazol-2-yl)-4-pyridinyl]-3-naphthalen-1-ylanthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 117638973
5-[5-[6-[6-(1,3-Oxazol-5-yl)-3-pyridinyl]naphthalen-2-yl]-2-pyridinyl]-1,3-oxazole
CID 117638977

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole?
The IUPAC name of 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole (CID 140997323) is 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole is c1ccc(-c2c(-c3nn[nH]n3)c(-c3ccccn3)c(-c3ncco3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole?
The InChIKey is PPAQBQAAGFMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O/c1-2-8-16(9-3-1)20-17-10-4-5-11-18(17)21(25-27-14-15-32-25)22(19-12-6-7-13-26-19)23(20)24-28-30-31-29-24/h1-15H,(H,28,29,30,31).
What are the key properties of 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole?
2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole has a molecular weight of 416.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-oxazole is sourced from PubChem (CID 140997323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).