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

C20H16F2N6O — CID 162722093

IUPAC2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(C4(c5ccccc5)CC4)n3)cc2)o1
InChIInChI=1S/C20H16F2N6O/c21-16(22)18-24-23-17(29-18)14-8-6-13(7-9-14)12-28-26-19(25-27-28)20(10-11-20)15-4-2-1-3-5-15/h1-9,16H,10-12H2
InChIKeyCJPRTBFKDNXPBV-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.79
Rot. Bonds6

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

2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722093) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722093
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(C4(c5ccccc5)CC4)n3)cc2)o1
InChIInChI=1S/C20H16F2N6O/c21-16(22)18-24-23-17(29-18)14-8-6-13(7-9-14)12-28-26-19(25-27-28)20(10-11-20)15-4-2-1-3-5-15/h1-9,16H,10-12H2
InChIKeyCJPRTBFKDNXPBV-UHFFFAOYSA-N
XLogP3.79
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722093) is 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(C4(c5ccccc5)CC4)n3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is CJPRTBFKDNXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c21-16(22)18-24-23-17(29-18)14-8-6-13(7-9-14)12-28-26-19(25-27-28)20(10-11-20)15-4-2-1-3-5-15/h1-9,16H,10-12H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 394.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).