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

C24H27FN4O2 — CID 134568647

IUPACN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(C)c2)C1
InChIInChI=1S/C24H27FN4O2/c1-4-10-28-13-20(14-28)24(30)29(21-7-5-6-16(2)11-21)15-19-9-8-18(12-22(19)25)23-27-26-17(3)31-23/h5-9,11-12,20H,4,10,13-15H2,1-3H3
InChIKeyDUFUGXFWDYTSAY-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.37
Rot. Bonds7

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

N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide (PubChem CID 134568647) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide
PubChem CID134568647
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(C)c2)C1
InChIInChI=1S/C24H27FN4O2/c1-4-10-28-13-20(14-28)24(30)29(21-7-5-6-16(2)11-21)15-19-9-8-18(12-22(19)25)23-27-26-17(3)31-23/h5-9,11-12,20H,4,10,13-15H2,1-3H3
InChIKeyDUFUGXFWDYTSAY-UHFFFAOYSA-N
XLogP4.37
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.37
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-fluorophenyl)-1-propylazetidine-3-carboxamide
CID 134568609
1-ethyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylazetidine-3-carboxamide
CID 126544289
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethylsulfanyl-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 134568623
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]-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-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(1,1-dihydroxy-1,4-thiazinan-4-yl)acetamide
CID 134561673
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-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-morpholin-4-ylacetamide
CID 126544353
N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392587

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-methylphenyl)-1-propylazetidine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide (CID 134568647) is N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-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-methylphenyl)-1-propylazetidine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide is CCCN1CC(C(=O)N(Cc2ccc(-c3nnc(C)o3)cc2F)c2cccc(C)c2)C1.
What is the InChIKey of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide?
The InChIKey is DUFUGXFWDYTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-4-10-28-13-20(14-28)24(30)29(21-7-5-6-16(2)11-21)15-19-9-8-18(12-22(19)25)23-27-26-17(3)31-23/h5-9,11-12,20H,4,10,13-15H2,1-3H3.
What are the key properties of N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide?
N-[[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-(3-methylphenyl)-1-propylazetidine-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.37, 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-methylphenyl)-1-propylazetidine-3-carboxamide is sourced from PubChem (CID 134568647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).