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

C25H29FN4O3 — CID 134568665

IUPACN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
SMILESCc1cccc(N(Cc2ccc(C3=NNC(C)O3)cc2F)C(=O)C2CN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C25H29FN4O3/c1-15(2)24(31)29-12-20(13-29)25(32)30(21-7-5-6-16(3)10-21)14-19-9-8-18(11-22(19)26)23-28-27-17(4)33-23/h5-11,15,17,20,27H,12-14H2,1-4H3
InChIKeyRLEGDVUCKBELIM-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.41
Rot. Bonds6

About N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-methylphenyl)-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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide (PubChem CID 134568665) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 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-methylphenyl)-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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
PubChem CID134568665
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
SMILESCc1cccc(N(Cc2ccc(C3=NNC(C)O3)cc2F)C(=O)C2CN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C25H29FN4O3/c1-15(2)24(31)29-12-20(13-29)25(32)30(21-7-5-6-16(3)10-21)14-19-9-8-18(11-22(19)26)23-28-27-17(4)33-23/h5-11,15,17,20,27H,12-14H2,1-4H3
InChIKeyRLEGDVUCKBELIM-UHFFFAOYSA-N
XLogP3.41
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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-methylphenyl)-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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide (CID 134568665) is N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide is Cc1cccc(N(Cc2ccc(C3=NNC(C)O3)cc2F)C(=O)C2CN(C(=O)C(C)C)C2)c1.
What is the InChIKey of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide?
The InChIKey is RLEGDVUCKBELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-15(2)24(31)29-12-20(13-29)25(32)30(21-7-5-6-16(3)10-21)14-19-9-8-18(11-22(19)26)23-28-27-17(4)33-23/h5-11,15,17,20,27H,12-14H2,1-4H3.
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-methylphenyl)-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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.41, 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-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide is sourced from PubChem (CID 134568665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).