(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol

C6H9NO2 — CID 118017241

IUPAC(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
SMILESO[C@H]1CCC2=NOC[C@@H]21
InChIInChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2/t4-,6-/m0/s1
InChIKeyHIAKNZOOEHSOTJ-NJGYIYPDSA-N
MW127.14 g/mol
LogP0.14
Rot. Bonds

About (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol

(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol (PubChem CID 118017241) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol.

Molecular Properties

Compound Name(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
PubChem CID118017241
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
SMILESO[C@H]1CCC2=NOC[C@@H]21
InChIInChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2/t4-,6-/m0/s1
InChIKeyHIAKNZOOEHSOTJ-NJGYIYPDSA-N
XLogP0.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The IUPAC name of (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol (CID 118017241) is (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol.
What is the SMILES notation for (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The canonical SMILES for (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol is O[C@H]1CCC2=NOC[C@@H]21.
What is the InChIKey of (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The InChIKey is HIAKNZOOEHSOTJ-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2/t4-,6-/m0/s1.
What are the key properties of (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol has a molecular weight of 127.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol is sourced from PubChem (CID 118017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).