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

C22H23F3N4O2 — CID 146659720

IUPACN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C22H23F3N4O2/c1-2-28-11-16(12-28)22(30)29(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)23)20-26-27-21(31-20)19(24)25/h3-10,16,19,21,27H,2,11-13H2,1H3
InChIKeyWTZMBSQIHYQVKB-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.18
Rot. Bonds7

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

N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide (PubChem CID 146659720) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide
PubChem CID146659720
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C22H23F3N4O2/c1-2-28-11-16(12-28)22(30)29(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)23)20-26-27-21(31-20)19(24)25/h3-10,16,19,21,27H,2,11-13H2,1H3
InChIKeyWTZMBSQIHYQVKB-UHFFFAOYSA-N
XLogP3.18
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide?
The IUPAC name of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide (CID 146659720) is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide is CCN1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1.
What is the InChIKey of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide?
The InChIKey is WTZMBSQIHYQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-2-28-11-16(12-28)22(30)29(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)23)20-26-27-21(31-20)19(24)25/h3-10,16,19,21,27H,2,11-13H2,1H3.
What are the key properties of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide?
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide is sourced from PubChem (CID 146659720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).