tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate

C17H26N2O6 — CID 168999880

IUPACtert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate
SMILESCOC(=O)C(c1cc(OC2CN(C(=O)OC(C)(C)C)C2)no1)C(C)C
InChIInChI=1S/C17H26N2O6/c1-10(2)14(15(20)22-6)12-7-13(18-25-12)23-11-8-19(9-11)16(21)24-17(3,4)5/h7,10-11,14H,8-9H2,1-6H3
InChIKeyNBSXESLZVLBPKF-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.59
Rot. Bonds5

About tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate

tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate (PubChem CID 168999880) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate
PubChem CID168999880
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Nametert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate
SMILESCOC(=O)C(c1cc(OC2CN(C(=O)OC(C)(C)C)C2)no1)C(C)C
InChIInChI=1S/C17H26N2O6/c1-10(2)14(15(20)22-6)12-7-13(18-25-12)23-11-8-19(9-11)16(21)24-17(3,4)5/h7,10-11,14H,8-9H2,1-6H3
InChIKeyNBSXESLZVLBPKF-UHFFFAOYSA-N
XLogP2.59
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxymethyl]azetidine-1-carboxylate
CID 169000411
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 8-(2-cyclobutyloxy-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;methyl 2-[3-[4-[1-(4-hydroxypiperidin-1-yl)cyclopropyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168903637
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate
CID 167237321
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-[4-(1-methoxy-1-oxopropan-2-yl)phenyl]azetidine-1-carboxylate
CID 162625061
tert-butyl 3-[[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 168904014
3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
CID 156885263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate (CID 168999880) is tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate is COC(=O)C(c1cc(OC2CN(C(=O)OC(C)(C)C)C2)no1)C(C)C.
What is the InChIKey of tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate?
The InChIKey is NBSXESLZVLBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-10(2)14(15(20)22-6)12-7-13(18-25-12)23-11-8-19(9-11)16(21)24-17(3,4)5/h7,10-11,14H,8-9H2,1-6H3.
What are the key properties of tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate?
tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate has a molecular weight of 354.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 168999880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).