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

C18H14F2N6O2 — CID 162722355

IUPAC2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C18H14F2N6O2/c1-27-14-8-6-12(7-9-14)16-21-25-26(24-16)10-11-2-4-13(5-3-11)17-22-23-18(28-17)15(19)20/h2-9,15H,10H2,1H3
InChIKeyHDTVUVKKJPPEJT-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.38
Rot. Bonds6

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

2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722355) has the molecular formula C18H14F2N6O2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722355
Molecular FormulaC18H14F2N6O2
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C18H14F2N6O2/c1-27-14-8-6-12(7-9-14)16-21-25-26(24-16)10-11-2-4-13(5-3-11)17-22-23-18(28-17)15(19)20/h2-9,15H,10H2,1H3
InChIKeyHDTVUVKKJPPEJT-UHFFFAOYSA-N
XLogP3.38
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.38
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-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722355) is 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is COc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is HDTVUVKKJPPEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2/c1-27-14-8-6-12(7-9-14)16-21-25-26(24-16)10-11-2-4-13(5-3-11)17-22-23-18(28-17)15(19)20/h2-9,15H,10H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 384.35 g/mol, XLogP of 3.38, 6 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-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).