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

C24H26F2N4O3 — CID 146659740

IUPACN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
SMILESCC1NN=C(c2ccc(CN(C(=O)C3CN(C(=O)C(C)C)C3)c3cccc(F)c3)c(F)c2)O1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)23(31)29-11-18(12-29)24(32)30(20-6-4-5-19(25)10-20)13-17-8-7-16(9-21(17)26)22-28-27-15(3)33-22/h4-10,14-15,18,27H,11-13H2,1-3H3
InChIKeyDLOPFDCJLRYJAD-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.24
Rot. Bonds6

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

N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide (PubChem CID 146659740) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
PubChem CID146659740
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
SMILESCC1NN=C(c2ccc(CN(C(=O)C3CN(C(=O)C(C)C)C3)c3cccc(F)c3)c(F)c2)O1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)23(31)29-11-18(12-29)24(32)30(20-6-4-5-19(25)10-20)13-17-8-7-16(9-21(17)26)22-28-27-15(3)33-22/h4-10,14-15,18,27H,11-13H2,1-3H3
InChIKeyDLOPFDCJLRYJAD-UHFFFAOYSA-N
XLogP3.24
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide (CID 146659740) is N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide is CC1NN=C(c2ccc(CN(C(=O)C3CN(C(=O)C(C)C)C3)c3cccc(F)c3)c(F)c2)O1.
What is the InChIKey of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide?
The InChIKey is DLOPFDCJLRYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-14(2)23(31)29-11-18(12-29)24(32)30(20-6-4-5-19(25)10-20)13-17-8-7-16(9-21(17)26)22-28-27-15(3)33-22/h4-10,14-15,18,27H,11-13H2,1-3H3.
What are the key properties of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide?
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide is sourced from PubChem (CID 146659740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).