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

C6H9NO2 — CID 123372844

IUPAC3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
SMILESOC1CCC2=NOCC21
InChIInChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2
InChIKeyHIAKNZOOEHSOTJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.14
Rot. Bonds

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

3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol (PubChem CID 123372844) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol.

Molecular Properties

Compound Name3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
PubChem CID123372844
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
SMILESOC1CCC2=NOCC21
InChIInChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2
InChIKeyHIAKNZOOEHSOTJ-UHFFFAOYSA-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

Analyze 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol with MolForge

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Related Compounds

8-Methyl-2-hydroxy-6-oxa-7-azabicyclo[3.3.0]-7-octene
CID 13012667
(3aR)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
CID 57827658
4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
CID 67278662
[(3aS,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
CID 68377173
(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
CID 118017241
cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol
CID 163638929
[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
CID 10898809
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol
CID 12794208
[(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
CID 12794209
[(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
CID 92797373
(2R)-2-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 102470375
(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 102470376

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The IUPAC name of 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol (CID 123372844) is 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol.
What is the SMILES notation for 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The canonical SMILES for 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol is OC1CCC2=NOCC21.
What is the InChIKey of 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
The InChIKey is HIAKNZOOEHSOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-2-1-5-4(6)3-9-7-5/h4,6,8H,1-3H2.
What are the key properties of 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol?
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 3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol is sourced from PubChem (CID 123372844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).