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

C22H24F2N4O2 — CID 126544257

IUPAC1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2ccc(C3=NNC(C)O3)cc2F)c2cccc(F)c2)C1
InChIInChI=1S/C22H24F2N4O2/c1-3-27-11-17(12-27)22(29)28(19-6-4-5-18(23)10-19)13-16-8-7-15(9-20(16)24)21-26-25-14(2)30-21/h4-10,14,17,25H,3,11-13H2,1-2H3
InChIKeyXAGLXYDCBGBCEF-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.08
Rot. Bonds6

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

1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide (PubChem CID 126544257) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide
PubChem CID126544257
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2ccc(C3=NNC(C)O3)cc2F)c2cccc(F)c2)C1
InChIInChI=1S/C22H24F2N4O2/c1-3-27-11-17(12-27)22(29)28(19-6-4-5-18(23)10-19)13-16-8-7-15(9-20(16)24)21-26-25-14(2)30-21/h4-10,14,17,25H,3,11-13H2,1-2H3
InChIKeyXAGLXYDCBGBCEF-UHFFFAOYSA-N
XLogP3.08
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide (CID 126544257) is 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide is CCN1CC(C(=O)N(Cc2ccc(C3=NNC(C)O3)cc2F)c2cccc(F)c2)C1.
What is the InChIKey of 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide?
The InChIKey is XAGLXYDCBGBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-3-27-11-17(12-27)22(29)28(19-6-4-5-18(23)10-19)13-16-8-7-15(9-20(16)24)21-26-25-14(2)30-21/h4-10,14,17,25H,3,11-13H2,1-2H3.
What are the key properties of 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide?
1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide is sourced from PubChem (CID 126544257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).