tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate

C19H28N4O4 — CID 156622158

IUPACtert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate
SMILESCN(Cc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3C)no1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O4/c1-18(2,3)26-17(25)21(4)10-12-8-13(20-27-12)14-9-19(6-7-19)15-11-23(14)16(24)22(15)5/h8,14-15H,6-7,9-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyWRJKUZJUTNDHJL-GJZGRUSLSA-N
MW376.46 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate

tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate (PubChem CID 156622158) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate
PubChem CID156622158
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nametert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate
SMILESCN(Cc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3C)no1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O4/c1-18(2,3)26-17(25)21(4)10-12-8-13(20-27-12)14-9-19(6-7-19)15-11-23(14)16(24)22(15)5/h8,14-15H,6-7,9-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyWRJKUZJUTNDHJL-GJZGRUSLSA-N
XLogP3.00
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate (CID 156622158) is tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate is CN(Cc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3C)no1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate?
The InChIKey is WRJKUZJUTNDHJL-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-18(2,3)26-17(25)21(4)10-12-8-13(20-27-12)14-9-19(6-7-19)15-11-23(14)16(24)22(15)5/h8,14-15H,6-7,9-11H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate has a molecular weight of 376.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-[(2S,5R)-6-methyl-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]methyl]carbamate is sourced from PubChem (CID 156622158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).