tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate

C15H25N3O3 — CID 139558226

IUPACtert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate
SMILESCN(Cc1cnc(C2CCOCC2)[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18(4)10-12-9-16-13(17-12)11-5-7-20-8-6-11/h9,11H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyHSUIZEPZWQLMRA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate

tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate (PubChem CID 139558226) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate
PubChem CID139558226
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate
SMILESCN(Cc1cnc(C2CCOCC2)[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18(4)10-12-9-16-13(17-12)11-5-7-20-8-6-11/h9,11H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyHSUIZEPZWQLMRA-UHFFFAOYSA-N
XLogP2.67
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate (CID 139558226) is tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate is CN(Cc1cnc(C2CCOCC2)[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate?
The InChIKey is HSUIZEPZWQLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18(4)10-12-9-16-13(17-12)11-5-7-20-8-6-11/h9,11H,5-8,10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate is sourced from PubChem (CID 139558226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).