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

C16H27N3O4 — CID 167902171

IUPACtert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
SMILESCOCCN(C)Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(20)19-8-12(9-19)14-13(17-11-22-14)10-18(4)6-7-21-5/h11-12H,6-10H2,1-5H3
InChIKeyLPQPFHREHLCQID-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.09
Rot. Bonds6

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

tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate (PubChem CID 167902171) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
PubChem CID167902171
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
SMILESCOCCN(C)Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(20)19-8-12(9-19)14-13(17-11-22-14)10-18(4)6-7-21-5/h11-12H,6-10H2,1-5H3
InChIKeyLPQPFHREHLCQID-UHFFFAOYSA-N
XLogP2.09
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-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 3-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate
CID 167772817
tert-butyl 3-(4-ethynyl-1,3-oxazol-5-yl)azetidine-1-carboxylate
CID 146050197
tert-butyl 2-[[2-methoxyethyl(methyl)amino]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 20825942
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
tert-butyl 3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71648386
tert-butyl 3-[2-(aminomethyl)-1H-imidazol-5-yl]azetidine-1-carboxylate
CID 163403835
tert-butyl (3S)-3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97168249
tert-butyl (3S,4S)-3-methyl-4-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 122151475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate (CID 167902171) is tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate is COCCN(C)Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
The InChIKey is LPQPFHREHLCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(20)19-8-12(9-19)14-13(17-11-22-14)10-18(4)6-7-21-5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate?
tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-oxazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 167902171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).