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

C17H12F2N6O2 — CID 162722578

IUPAC4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
SMILESOc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C17H12F2N6O2/c18-14(19)17-22-21-16(27-17)12-3-1-10(2-4-12)9-25-23-15(20-24-25)11-5-7-13(26)8-6-11/h1-8,14,26H,9H2
InChIKeySRWVWBYZJVRLJZ-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.08
Rot. Bonds5

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

4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol (PubChem CID 162722578) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
PubChem CID162722578
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol
SMILESOc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1
InChIInChI=1S/C17H12F2N6O2/c18-14(19)17-22-21-16(27-17)12-3-1-10(2-4-12)9-25-23-15(20-24-25)11-5-7-13(26)8-6-11/h1-8,14,26H,9H2
InChIKeySRWVWBYZJVRLJZ-UHFFFAOYSA-N
XLogP3.08
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The IUPAC name of 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol (CID 162722578) is 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol.
What is the SMILES notation for 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The canonical SMILES for 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol is Oc1ccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1.
What is the InChIKey of 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
The InChIKey is SRWVWBYZJVRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c18-14(19)17-22-21-16(27-17)12-3-1-10(2-4-12)9-25-23-15(20-24-25)11-5-7-13(26)8-6-11/h1-8,14,26H,9H2.
What are the key properties of 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol?
4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol has a molecular weight of 370.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenol is sourced from PubChem (CID 162722578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).