2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C16H11F2N7O — CID 162443010

IUPAC2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)nc2)o1
InChIInChI=1S/C16H11F2N7O/c17-13(18)16-22-21-15(26-16)11-6-7-12(19-8-11)9-25-23-14(20-24-25)10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeySHHICSIFCSRFEB-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.77
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162443010) has the molecular formula C16H11F2N7O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162443010
Molecular FormulaC16H11F2N7O
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)nc2)o1
InChIInChI=1S/C16H11F2N7O/c17-13(18)16-22-21-15(26-16)11-6-7-12(19-8-11)9-25-23-14(20-24-25)10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeySHHICSIFCSRFEB-UHFFFAOYSA-N
XLogP2.77
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
US10464911, Example 33
CID 126507917
US10464911, Example 66
CID 126508476
US10464911, Example 70
CID 126508751
US10464911, Example 52
CID 126509209
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162721993
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
2-(Difluoromethyl)-5-[4-[[5-(2-pyridin-4-ylpropan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722139
7'-(2-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-2H-tetrazol-5-yl)-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one
CID 162722200

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162443010) is 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is SHHICSIFCSRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N7O/c17-13(18)16-22-21-15(26-16)11-6-7-12(19-8-11)9-25-23-14(20-24-25)10-4-2-1-3-5-10/h1-8,13H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 355.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).