3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine

C9H11F3N2O2 — CID 166925147

IUPAC3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine
SMILESNC1CCC(Oc2cc(C(F)(F)F)on2)C1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-4-8(14-16-7)15-6-2-1-5(13)3-6/h4-6H,1-3,13H2
InChIKeySIKOPCGKENKCJW-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.95
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine

3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine (PubChem CID 166925147) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine
PubChem CID166925147
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine
SMILESNC1CCC(Oc2cc(C(F)(F)F)on2)C1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-4-8(14-16-7)15-6-2-1-5(13)3-6/h4-6H,1-3,13H2
InChIKeySIKOPCGKENKCJW-UHFFFAOYSA-N
XLogP1.95
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine?
The IUPAC name of 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine (CID 166925147) is 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine?
The canonical SMILES for 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine is NC1CCC(Oc2cc(C(F)(F)F)on2)C1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine?
The InChIKey is SIKOPCGKENKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7-4-8(14-16-7)15-6-2-1-5(13)3-6/h4-6H,1-3,13H2.
What are the key properties of 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine?
3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine has a molecular weight of 236.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine is sourced from PubChem (CID 166925147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).