2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

C15H10F2N6O2 — CID 162722437

IUPAC2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccco4)n3)cc2)o1
InChIInChI=1S/C15H10F2N6O2/c16-12(17)15-20-19-14(25-15)10-5-3-9(4-6-10)8-23-21-13(18-22-23)11-2-1-7-24-11/h1-7,12H,8H2
InChIKeyNPMIWKVNPKBTBC-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.97
Rot. Bonds5

About 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722437) has the molecular formula C15H10F2N6O2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722437
Molecular FormulaC15H10F2N6O2
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccco4)n3)cc2)o1
InChIInChI=1S/C15H10F2N6O2/c16-12(17)15-20-19-14(25-15)10-5-3-9(4-6-10)8-23-21-13(18-22-23)11-2-1-7-24-11/h1-7,12H,8H2
InChIKeyNPMIWKVNPKBTBC-UHFFFAOYSA-N
XLogP2.97
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722437) is 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccco4)n3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is NPMIWKVNPKBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6O2/c16-12(17)15-20-19-14(25-15)10-5-3-9(4-6-10)8-23-21-13(18-22-23)11-2-1-7-24-11/h1-7,12H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 344.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).