3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide

C23H17F2N7O3 — CID 162722707

IUPAC3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1
InChIInChI=1S/C23H17F2N7O3/c24-19(25)23-29-28-22(35-23)15-8-6-14(7-9-15)13-32-30-20(27-31-32)16-3-1-4-17(11-16)21(33)26-12-18-5-2-10-34-18/h1-11,19H,12-13H2,(H,26,33)
InChIKeyRDVVHOLJQOLFIK-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.90
Rot. Bonds8

About 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide

3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 162722707) has the molecular formula C23H17F2N7O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID162722707
Molecular FormulaC23H17F2N7O3
Molecular Weight477.43 g/mol
Exact Mass477.14
IUPAC Name3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1
InChIInChI=1S/C23H17F2N7O3/c24-19(25)23-29-28-22(35-23)15-8-6-14(7-9-15)13-32-30-20(27-31-32)16-3-1-4-17(11-16)21(33)26-12-18-5-2-10-34-18/h1-11,19H,12-13H2,(H,26,33)
InChIKeyRDVVHOLJQOLFIK-UHFFFAOYSA-N
XLogP3.90
TPSA124.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2103853
CID 2103853
CID 718601
CID 718601
CID 162722437
CID 162722437
CID 2233287
CID 2233287
CID 38031004
CID 38031004
CID 83277348
CID 83277348
CID 67362790
CID 67362790
CID 67363599
CID 67363599
CID 16352473
CID 16352473
CID 1142696
CID 1142696
CID 1142698
CID 1142698
CID 1144045
CID 1144045

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide (CID 162722707) is 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1.
What is the InChIKey of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RDVVHOLJQOLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O3/c24-19(25)23-29-28-22(35-23)15-8-6-14(7-9-15)13-32-30-20(27-31-32)16-3-1-4-17(11-16)21(33)26-12-18-5-2-10-34-18/h1-11,19H,12-13H2,(H,26,33).
What are the key properties of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 477.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 162722707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).