N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide

C24H25F3N4O3 — CID 126544442

IUPACN-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide
SMILESCC(C)C(=O)N1CC(C(=O)N(Cc2ccc([C@@H]3NN=C(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C24H25F3N4O3/c1-14(2)23(32)30-11-17(12-30)24(33)31(18-6-4-3-5-7-18)13-16-9-8-15(10-19(16)25)21-28-29-22(34-21)20(26)27/h3-10,14,17,20-21,28H,11-13H2,1-2H3/t21-/m1/s1
InChIKeyJKHVQYRBNZJIAV-OAQYLSRUSA-N
MW474.48 g/mol
LogP3.67
Rot. Bonds7

About N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide

N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide (PubChem CID 126544442) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide
PubChem CID126544442
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide
SMILESCC(C)C(=O)N1CC(C(=O)N(Cc2ccc([C@@H]3NN=C(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C24H25F3N4O3/c1-14(2)23(32)30-11-17(12-30)24(33)31(18-6-4-3-5-7-18)13-16-9-8-15(10-19(16)25)21-28-29-22(34-21)20(26)27/h3-10,14,17,20-21,28H,11-13H2,1-2H3/t21-/m1/s1
InChIKeyJKHVQYRBNZJIAV-OAQYLSRUSA-N
XLogP3.67
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide?
The IUPAC name of N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide (CID 126544442) is N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide?
The canonical SMILES for N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide is CC(C)C(=O)N1CC(C(=O)N(Cc2ccc([C@@H]3NN=C(C(F)F)O3)cc2F)c2ccccc2)C1.
What is the InChIKey of N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide?
The InChIKey is JKHVQYRBNZJIAV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-14(2)23(32)30-11-17(12-30)24(33)31(18-6-4-3-5-7-18)13-16-9-8-15(10-19(16)25)21-28-29-22(34-21)20(26)27/h3-10,14,17,20-21,28H,11-13H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide?
N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide is sourced from PubChem (CID 126544442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).