[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

C12H23NO3 — CID 818154

IUPAC[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(C)[C@@H]1OCC2(CO)CO[C@@H](C(C)C)N12
InChIInChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,5-14)6-15-10/h8-11,14H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyGTGZDIASNVRNIV-QWRGUYRKSA-N
MW229.32 g/mol
LogP1.04
Rot. Bonds3

About [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 818154) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID818154
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(C)[C@@H]1OCC2(CO)CO[C@@H](C(C)C)N12
InChIInChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,5-14)6-15-10/h8-11,14H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyGTGZDIASNVRNIV-QWRGUYRKSA-N
XLogP1.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 818154) is [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is CC(C)[C@@H]1OCC2(CO)CO[C@@H](C(C)C)N12.
What is the InChIKey of [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is GTGZDIASNVRNIV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,5-14)6-15-10/h8-11,14H,5-7H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 229.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 818154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).