3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol

C10H16N2O2 — CID 106121094

IUPAC3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cnco2)C1
InChIInChI=1S/C10H16N2O2/c13-9-2-1-8(3-9)4-11-5-10-6-12-7-14-10/h6-9,11,13H,1-5H2
InChIKeyIAXIINUCCQNOBQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds4

About 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol

3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 106121094) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID106121094
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cnco2)C1
InChIInChI=1S/C10H16N2O2/c13-9-2-1-8(3-9)4-11-5-10-6-12-7-14-10/h6-9,11,13H,1-5H2
InChIKeyIAXIINUCCQNOBQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol (CID 106121094) is 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCc2cnco2)C1.
What is the InChIKey of 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is IAXIINUCCQNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-2-1-8(3-9)4-11-5-10-6-12-7-14-10/h6-9,11,13H,1-5H2.
What are the key properties of 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol?
3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106121094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).