3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

C20H17N5O — CID 53239940

IUPAC3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C20H17N5O/c1-13-8-16(19-4-3-7-26-19)9-14(2)18(13)6-5-15-10-17(12-21-11-15)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyXFBUODNVNPFENG-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.31
Rot. Bonds4

About 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (PubChem CID 53239940) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
PubChem CID53239940
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C20H17N5O/c1-13-8-16(19-4-3-7-26-19)9-14(2)18(13)6-5-15-10-17(12-21-11-15)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyXFBUODNVNPFENG-UHFFFAOYSA-N
XLogP4.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (CID 53239940) is 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is Cc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The InChIKey is XFBUODNVNPFENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-8-16(19-4-3-7-26-19)9-14(2)18(13)6-5-15-10-17(12-21-11-15)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25).
What are the key properties of 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine has a molecular weight of 343.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 53239940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).