[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C18H21FN2O3 — CID 59577303

IUPAC[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(Oc2ccc(F)cc2C(C)(C)C)C1
InChIInChI=1S/C18H21FN2O3/c1-11-14(8-20-24-11)17(22)21-9-13(10-21)23-16-6-5-12(19)7-15(16)18(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyMYERJOQJZZBSBR-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.32
Rot. Bonds3

About [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 59577303) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID59577303
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(Oc2ccc(F)cc2C(C)(C)C)C1
InChIInChI=1S/C18H21FN2O3/c1-11-14(8-20-24-11)17(22)21-9-13(10-21)23-16-6-5-12(19)7-15(16)18(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyMYERJOQJZZBSBR-UHFFFAOYSA-N
XLogP3.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone 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 [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 59577303) is [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC(Oc2ccc(F)cc2C(C)(C)C)C1.
What is the InChIKey of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MYERJOQJZZBSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11-14(8-20-24-11)17(22)21-9-13(10-21)23-16-6-5-12(19)7-15(16)18(2,3)4/h5-8,13H,9-10H2,1-4H3.
What are the key properties of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 332.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 59577303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).