8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C22H17F4N7O2 — CID 162722121

IUPAC8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2C1
InChIInChI=1S/C22H17F4N7O2/c1-32-7-12-3-2-11(6-17(12)27-19(34)10-32)18-9-33(31-28-18)8-14-15(23)4-13(5-16(14)24)21-29-30-22(35-21)20(25)26/h2-6,9,20H,7-8,10H2,1H3,(H,27,34)
InChIKeyLJRNLDPRVOIRED-UHFFFAOYSA-N
MW487.42 g/mol
LogP3.64
Rot. Bonds5

About 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 162722121) has the molecular formula C22H17F4N7O2 and a molecular weight of 487.42 g/mol. Its IUPAC name is 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID162722121
Molecular FormulaC22H17F4N7O2
Molecular Weight487.42 g/mol
Exact Mass487.14
IUPAC Name8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2C1
InChIInChI=1S/C22H17F4N7O2/c1-32-7-12-3-2-11(6-17(12)27-19(34)10-32)18-9-33(31-28-18)8-14-15(23)4-13(5-16(14)24)21-29-30-22(35-21)20(25)26/h2-6,9,20H,7-8,10H2,1H3,(H,27,34)
InChIKeyLJRNLDPRVOIRED-UHFFFAOYSA-N
XLogP3.64
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

2-(Difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443289
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
Tert-butyl 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxylate
CID 162721870
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721909
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162721933
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-ethylaniline
CID 162721943
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]aniline
CID 162721958
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
CID 162722002
tert-butyl 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 162722052
4-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162722085
N-(cyclopropylmethyl)-1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]benzoyl]piperidine-3-carboxamide
CID 162722140

Frequently Asked Questions

What is the IUPAC name of 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 162722121) is 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CN1CC(=O)Nc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2C1.
What is the InChIKey of 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is LJRNLDPRVOIRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O2/c1-32-7-12-3-2-11(6-17(12)27-19(34)10-32)18-9-33(31-28-18)8-14-15(23)4-13(5-16(14)24)21-29-30-22(35-21)20(25)26/h2-6,9,20H,7-8,10H2,1H3,(H,27,34).
What are the key properties of 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 487.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 162722121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).