tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate

C12H18N2O3 — CID 159561764

IUPACtert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate
SMILESCc1coc(C2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H18N2O3/c1-8-7-16-10(13-8)9-5-14(6-9)11(15)17-12(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyMGSCGMHQUJJPMH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate

tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate (PubChem CID 159561764) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate
PubChem CID159561764
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate
SMILESCc1coc(C2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H18N2O3/c1-8-7-16-10(13-8)9-5-14(6-9)11(15)17-12(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyMGSCGMHQUJJPMH-UHFFFAOYSA-N
XLogP2.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate (CID 159561764) is tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate is Cc1coc(C2CN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate?
The InChIKey is MGSCGMHQUJJPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-7-16-10(13-8)9-5-14(6-9)11(15)17-12(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 159561764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).