1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid

C29H26F3N3O5 — CID 67169494

IUPAC1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)C(c1ccc2c(c1)OCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)N1CC(C(=O)O)C1
InChIInChI=1S/C29H26F3N3O5/c1-28(2,3)26(35-12-17(13-35)27(36)37)16-9-10-18-20(11-16)38-14-19-22(18)33-40-25(19)23-21(29(30,31)32)24(39-34-23)15-7-5-4-6-8-15/h4-11,17,26H,12-14H2,1-3H3,(H,36,37)
InChIKeyUWCXEYOAUKVWTI-UHFFFAOYSA-N
MW553.54 g/mol
LogP6.68
Rot. Bonds5

About 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid

1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid (PubChem CID 67169494) has the molecular formula C29H26F3N3O5 and a molecular weight of 553.54 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid
PubChem CID67169494
Molecular FormulaC29H26F3N3O5
Molecular Weight553.54 g/mol
Exact Mass553.18
IUPAC Name1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)C(c1ccc2c(c1)OCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)N1CC(C(=O)O)C1
InChIInChI=1S/C29H26F3N3O5/c1-28(2,3)26(35-12-17(13-35)27(36)37)16-9-10-18-20(11-16)38-14-19-22(18)33-40-25(19)23-21(29(30,31)32)24(39-34-23)15-7-5-4-6-8-15/h4-11,17,26H,12-14H2,1-3H3,(H,36,37)
InChIKeyUWCXEYOAUKVWTI-UHFFFAOYSA-N
XLogP6.68
TPSA101.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.54
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid 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 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid (CID 67169494) is 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid is CC(C)(C)C(c1ccc2c(c1)OCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid?
The InChIKey is UWCXEYOAUKVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O5/c1-28(2,3)26(35-12-17(13-35)27(36)37)16-9-10-18-20(11-16)38-14-19-22(18)33-40-25(19)23-21(29(30,31)32)24(39-34-23)15-7-5-4-6-8-15/h4-11,17,26H,12-14H2,1-3H3,(H,36,37).
What are the key properties of 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid?
1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid has a molecular weight of 553.54 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]propyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 67169494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).