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

C16H27N3O4 — CID 102655624

IUPACtert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCCOC(CC)c1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-6-12(21-7-2)14-17-13(23-18-14)8-11-9-19(10-11)15(20)22-16(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyBYDPMJCWLGRFQO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds6

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

tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (PubChem CID 102655624) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
PubChem CID102655624
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCCOC(CC)c1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-6-12(21-7-2)14-17-13(23-18-14)8-11-9-19(10-11)15(20)22-16(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyBYDPMJCWLGRFQO-UHFFFAOYSA-N
XLogP2.97
TPSA77.69 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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655607
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655486
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
CID 55539435
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
CID 123201155
tert-butyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxylate
CID 171130204
tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
CID 169167060
tert-butyl 3-[(4-ethoxycarbonylphenyl)methyl]azetidine-1-carboxylate
CID 90376661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (CID 102655624) is tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is CCOC(CC)c1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The InChIKey is BYDPMJCWLGRFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-6-12(21-7-2)14-17-13(23-18-14)8-11-9-19(10-11)15(20)22-16(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 102655624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).