tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate

C17H20FN3O3 — CID 118677205

IUPACtert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
SMILESCc1c(F)cccc1-c1nc(C2CCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H20FN3O3/c1-10-11(6-5-7-12(10)18)15-19-14(20-24-15)13-8-9-21(13)16(22)23-17(2,3)4/h5-7,13H,8-9H2,1-4H3
InChIKeyBDEPCHHIGKFNGB-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.87
Rot. Bonds2

About tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate

tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate (PubChem CID 118677205) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
PubChem CID118677205
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Nametert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
SMILESCc1c(F)cccc1-c1nc(C2CCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H20FN3O3/c1-10-11(6-5-7-12(10)18)15-19-14(20-24-15)13-8-9-21(13)16(22)23-17(2,3)4/h5-7,13H,8-9H2,1-4H3
InChIKeyBDEPCHHIGKFNGB-UHFFFAOYSA-N
XLogP3.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 118355353
[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 90422559
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl (2S)-2-[5-(4-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130468627
tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691235
tert-butyl (2S)-3-(2,3-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
CID 90691469
tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 100683153
tert-butyl 2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 119039771
tert-butyl 2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
CID 123705436
[2-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118677182
tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691241
[5-methyl-2-(triazol-2-yl)phenyl]-[2-[5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 90422564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate (CID 118677205) is tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate is Cc1c(F)cccc1-c1nc(C2CCN2C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate?
The InChIKey is BDEPCHHIGKFNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10-11(6-5-7-12(10)18)15-19-14(20-24-15)13-8-9-21(13)16(22)23-17(2,3)4/h5-7,13H,8-9H2,1-4H3.
What are the key properties of tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate?
tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate is sourced from PubChem (CID 118677205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).