tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate

C13H21N3O3 — CID 169167060

IUPACtert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
SMILESCC(C)c1nnc(C2CN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C13H21N3O3/c1-8(2)10-14-15-11(18-10)9-6-16(7-9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyORZUZFZUAAEJMS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate

tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate (PubChem CID 169167060) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
PubChem CID169167060
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
SMILESCC(C)c1nnc(C2CN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C13H21N3O3/c1-8(2)10-14-15-11(18-10)9-6-16(7-9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyORZUZFZUAAEJMS-UHFFFAOYSA-N
XLogP2.53
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 146154991
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl (1S,5R)-6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 86334179
tert-butyl (5R)-2,4-dioxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 87310184
tert-butyl (3R)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 100651003
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-(5-bromo-1,3-benzoxazol-2-yl)azetidine-1-carboxylate
CID 170951246
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate (CID 169167060) is tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate is CC(C)c1nnc(C2CN(C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?
The InChIKey is ORZUZFZUAAEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)10-14-15-11(18-10)9-6-16(7-9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 169167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).