N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine

C11H15F3N2O — CID 71858837

IUPACN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine
SMILESFC(F)(F)CCN(Cc1ccon1)C1CCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)5-6-16(10-2-1-3-10)8-9-4-7-17-15-9/h4,7,10H,1-3,5-6,8H2
InChIKeyCCXXXSRZLMAVSV-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.98
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine

N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine (PubChem CID 71858837) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine
PubChem CID71858837
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine
SMILESFC(F)(F)CCN(Cc1ccon1)C1CCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)5-6-16(10-2-1-3-10)8-9-4-7-17-15-9/h4,7,10H,1-3,5-6,8H2
InChIKeyCCXXXSRZLMAVSV-UHFFFAOYSA-N
XLogP2.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine (CID 71858837) is N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine is FC(F)(F)CCN(Cc1ccon1)C1CCC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine?
The InChIKey is CCXXXSRZLMAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)5-6-16(10-2-1-3-10)8-9-4-7-17-15-9/h4,7,10H,1-3,5-6,8H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine?
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine has a molecular weight of 248.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine is sourced from PubChem (CID 71858837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).