tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate

C15H23F2N3O3 — CID 167772817

IUPACtert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
SMILESCN(Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1)CC(F)F
InChIInChI=1S/C15H23F2N3O3/c1-15(2,3)23-14(21)20-5-10(6-20)13-11(18-9-22-13)7-19(4)8-12(16)17/h9-10,12H,5-8H2,1-4H3
InChIKeyZKLBCLQRSQGJQV-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.71
Rot. Bonds5

About tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate

tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate (PubChem CID 167772817) has the molecular formula C15H23F2N3O3 and a molecular weight of 331.36 g/mol. Its IUPAC name is tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
PubChem CID167772817
Molecular FormulaC15H23F2N3O3
Molecular Weight331.36 g/mol
Exact Mass331.17
IUPAC Nametert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
SMILESCN(Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1)CC(F)F
InChIInChI=1S/C15H23F2N3O3/c1-15(2,3)23-14(21)20-5-10(6-20)13-11(18-9-22-13)7-19(4)8-12(16)17/h9-10,12H,5-8H2,1-4H3
InChIKeyZKLBCLQRSQGJQV-UHFFFAOYSA-N
XLogP2.71
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
CID 167902171
tert-butyl 3-(4-ethynyl-1,3-oxazol-5-yl)azetidine-1-carboxylate
CID 146050197
tert-butyl 3-[[2,2-difluoroethyl(methyl)carbamoyl]amino]azetidine-1-carboxylate
CID 126817162
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
tert-butyl 3-[2-(aminomethyl)-1H-imidazol-5-yl]azetidine-1-carboxylate
CID 163403835
tert-butyl (3R)-3-[[methyl-[(3-methylsulfanylpyrazin-2-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 97168450
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
tert-butyl 3-(6-ethyl-5-fluoropyrimidin-4-yl)azetidine-1-carboxylate
CID 125453061
tert-butyl 3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71648386
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl 3-[[(3-chloropyrazin-2-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 71647809
tert-butyl (3S)-3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97168249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate (CID 167772817) is tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate is CN(Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1)CC(F)F.
What is the InChIKey of tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The InChIKey is ZKLBCLQRSQGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O3/c1-15(2,3)23-14(21)20-5-10(6-20)13-11(18-9-22-13)7-19(4)8-12(16)17/h9-10,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate has a molecular weight of 331.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 167772817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).