N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide

C23H24F2N4O2 — CID 134568609

IUPACN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(F)c2)C1
InChIInChI=1S/C23H24F2N4O2/c1-3-9-28-12-18(13-28)23(30)29(20-6-4-5-19(24)11-20)14-17-8-7-16(10-21(17)25)22-27-26-15(2)31-22/h4-8,10-11,18H,3,9,12-14H2,1-2H3
InChIKeyIJKKZEUOZBVVCS-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.20
Rot. Bonds7

About N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide

N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide (PubChem CID 134568609) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide
PubChem CID134568609
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(F)c2)C1
InChIInChI=1S/C23H24F2N4O2/c1-3-9-28-12-18(13-28)23(30)29(20-6-4-5-19(24)11-20)14-17-8-7-16(10-21(17)25)22-27-26-15(2)31-22/h4-8,10-11,18H,3,9,12-14H2,1-2H3
InChIKeyIJKKZEUOZBVVCS-UHFFFAOYSA-N
XLogP4.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide
CID 134568647
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethylsulfanyl-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 134568623
1-ethyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylazetidine-3-carboxamide
CID 126544289
tert-butyl 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl-(3-fluorophenyl)carbamoyl]azetidine-1-carboxylate
CID 126544327
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 140895045
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)methanesulfonamide
CID 126507804
tert-butyl 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl-phenylcarbamoyl]azetidine-1-carboxylate;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylazetidine-3-carboxamide;hydrochloride
CID 157408286
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethyl-4-fluoro-N-phenylpiperidine-4-carboxamide
CID 156891786
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 140894014
CID 171831968
CID 171831968
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 140894919
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 156840659

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide (CID 134568609) is N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide is CCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(F)c2)C1.
What is the InChIKey of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide?
The InChIKey is IJKKZEUOZBVVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-3-9-28-12-18(13-28)23(30)29(20-6-4-5-19(24)11-20)14-17-8-7-16(10-21(17)25)22-27-26-15(2)31-22/h4-8,10-11,18H,3,9,12-14H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide?
N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-propylazetidine-3-carboxamide is sourced from PubChem (CID 134568609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).