tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate

C15H25N3O2 — CID 102970103

IUPACtert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate
SMILESCCc1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]c1CC
InChIInChI=1S/C15H25N3O2/c1-6-11-12(7-2)17-13(16-11)10-8-18(9-10)14(19)20-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyJFJOOBIIPJHZGP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate

tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate (PubChem CID 102970103) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate
PubChem CID102970103
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate
SMILESCCc1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]c1CC
InChIInChI=1S/C15H25N3O2/c1-6-11-12(7-2)17-13(16-11)10-8-18(9-10)14(19)20-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyJFJOOBIIPJHZGP-UHFFFAOYSA-N
XLogP2.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate (CID 102970103) is tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate is CCc1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]c1CC.
What is the InChIKey of tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate?
The InChIKey is JFJOOBIIPJHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-11-12(7-2)17-13(16-11)10-8-18(9-10)14(19)20-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 102970103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).