tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate

C16H20N2O4 — CID 59243421

IUPACtert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1OC(=O)N2c3ccccc3C[C@@H]12
InChIInChI=1S/C16H20N2O4/c1-16(2,3)22-14(19)17-9-13-12-8-10-6-4-5-7-11(10)18(12)15(20)21-13/h4-7,12-13H,8-9H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeySWHCZWYVNVFMEY-STQMWFEESA-N
MW304.35 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate

tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate (PubChem CID 59243421) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
PubChem CID59243421
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1OC(=O)N2c3ccccc3C[C@@H]12
InChIInChI=1S/C16H20N2O4/c1-16(2,3)22-14(19)17-9-13-12-8-10-6-4-5-7-11(10)18(12)15(20)21-13/h4-7,12-13H,8-9H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeySWHCZWYVNVFMEY-STQMWFEESA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]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-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate (CID 59243421) is tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1OC(=O)N2c3ccccc3C[C@@H]12.
What is the InChIKey of tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The InChIKey is SWHCZWYVNVFMEY-STQMWFEESA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)22-14(19)17-9-13-12-8-10-6-4-5-7-11(10)18(12)15(20)21-13/h4-7,12-13H,8-9H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S,3aS)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate is sourced from PubChem (CID 59243421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).