N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C19H22FN3O4 — CID 71785341

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)on1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)15-8-16(27-22-15)21-18(25)12-9-23(10-12)17(24)11-26-14-7-5-4-6-13(14)20/h4-8,12H,9-11H2,1-3H3,(H,21,25)
InChIKeyJYXNNBXGRSIVKS-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.59
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 71785341) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID71785341
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)on1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)15-8-16(27-22-15)21-18(25)12-9-23(10-12)17(24)11-26-14-7-5-4-6-13(14)20/h4-8,12H,9-11H2,1-3H3,(H,21,25)
InChIKeyJYXNNBXGRSIVKS-UHFFFAOYSA-N
XLogP2.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-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-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 71785341) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is JYXNNBXGRSIVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-19(2,3)15-8-16(27-22-15)21-18(25)12-9-23(10-12)17(24)11-26-14-7-5-4-6-13(14)20/h4-8,12H,9-11H2,1-3H3,(H,21,25).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).