tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate

C11H18N2O3 — CID 104941374

IUPACtert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1cnco1
InChIInChI=1S/C11H18N2O3/c1-5-8(9-6-12-7-15-9)13-10(14)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m0/s1
InChIKeyDLHKUJXBIYSOPI-QMMMGPOBSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate

tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate (PubChem CID 104941374) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate
PubChem CID104941374
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1cnco1
InChIInChI=1S/C11H18N2O3/c1-5-8(9-6-12-7-15-9)13-10(14)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m0/s1
InChIKeyDLHKUJXBIYSOPI-QMMMGPOBSA-N
XLogP2.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]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-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate (CID 104941374) is tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)c1cnco1.
What is the InChIKey of tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate?
The InChIKey is DLHKUJXBIYSOPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-8(9-6-12-7-15-9)13-10(14)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate?
tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate is sourced from PubChem (CID 104941374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).