tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

C17H26N2O5 — CID 155634429

IUPACtert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(N3CC(C4CC(O)C4)OC3=O)(C1)C2
InChIInChI=1S/C17H26N2O5/c1-15(2,3)24-13(21)18-16-7-17(8-16,9-16)19-6-12(23-14(19)22)10-4-11(20)5-10/h10-12,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyYBJZEICWZFAFID-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 155634429) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID155634429
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(N3CC(C4CC(O)C4)OC3=O)(C1)C2
InChIInChI=1S/C17H26N2O5/c1-15(2,3)24-13(21)18-16-7-17(8-16,9-16)19-6-12(23-14(19)22)10-4-11(20)5-10/h10-12,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyYBJZEICWZFAFID-UHFFFAOYSA-N
XLogP1.78
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 155634429) is tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)(C)OC(=O)NC12CC(N3CC(C4CC(O)C4)OC3=O)(C1)C2.
What is the InChIKey of tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is YBJZEICWZFAFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-15(2,3)24-13(21)18-16-7-17(8-16,9-16)19-6-12(23-14(19)22)10-4-11(20)5-10/h10-12,20H,4-9H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 338.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[5-(3-hydroxycyclobutyl)-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 155634429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).