1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one

C23H18F4N6O2 — CID 162722197

IUPAC1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2cccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)C1=O
InChIInChI=1S/C23H18F4N6O2/c1-23(2)11-33(22(23)34)14-5-3-4-12(6-14)18-10-32(31-28-18)9-15-16(24)7-13(8-17(15)25)20-29-30-21(35-20)19(26)27/h3-8,10,19H,9,11H2,1-2H3
InChIKeyFPRUEVCWIZJTDU-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.63
Rot. Bonds6

About 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one

1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one (PubChem CID 162722197) has the molecular formula C23H18F4N6O2 and a molecular weight of 486.43 g/mol. Its IUPAC name is 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one
PubChem CID162722197
Molecular FormulaC23H18F4N6O2
Molecular Weight486.43 g/mol
Exact Mass486.14
IUPAC Name1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2cccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)C1=O
InChIInChI=1S/C23H18F4N6O2/c1-23(2)11-33(22(23)34)14-5-3-4-12(6-14)18-10-32(31-28-18)9-15-16(24)7-13(8-17(15)25)20-29-30-21(35-20)19(26)27/h3-8,10,19H,9,11H2,1-2H3
InChIKeyFPRUEVCWIZJTDU-UHFFFAOYSA-N
XLogP4.63
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-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
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]benzoic acid
CID 162443100
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
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
4-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162722085
8-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one
CID 162722121
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
N-[3-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]ethyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722162

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one (CID 162722197) is 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one is CC1(C)CN(c2cccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)C1=O.
What is the InChIKey of 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one?
The InChIKey is FPRUEVCWIZJTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O2/c1-23(2)11-33(22(23)34)14-5-3-4-12(6-14)18-10-32(31-28-18)9-15-16(24)7-13(8-17(15)25)20-29-30-21(35-20)19(26)27/h3-8,10,19H,9,11H2,1-2H3.
What are the key properties of 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one?
1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one has a molecular weight of 486.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 162722197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).