[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol

C12H20N2O2 — CID 86801103

IUPAC[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol
SMILESOCC1CCCCCC1NCc1ccon1
InChIInChI=1S/C12H20N2O2/c15-9-10-4-2-1-3-5-12(10)13-8-11-6-7-16-14-11/h6-7,10,12-13,15H,1-5,8-9H2
InChIKeyYYTXOHFZKQRKHI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds4

About [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol

[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol (PubChem CID 86801103) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol
PubChem CID86801103
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol
SMILESOCC1CCCCCC1NCc1ccon1
InChIInChI=1S/C12H20N2O2/c15-9-10-4-2-1-3-5-12(10)13-8-11-6-7-16-14-11/h6-7,10,12-13,15H,1-5,8-9H2
InChIKeyYYTXOHFZKQRKHI-UHFFFAOYSA-N
XLogP1.71
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol?
The IUPAC name of [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol (CID 86801103) is [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol.
What is the SMILES notation for [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol?
The canonical SMILES for [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol is OCC1CCCCCC1NCc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol?
The InChIKey is YYTXOHFZKQRKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-9-10-4-2-1-3-5-12(10)13-8-11-6-7-16-14-11/h6-7,10,12-13,15H,1-5,8-9H2.
What are the key properties of [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol?
[2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylmethylamino)cycloheptyl]methanol is sourced from PubChem (CID 86801103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).