N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

C10H12F6N2O — CID 103311182

IUPACN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H12F6N2O/c1-5(2)17-4-7-18-3-6(19-7)8(9(11,12)13)10(14,15)16/h3,5,8,17H,4H2,1-2H3
InChIKeyUOXBNZJFMIVYQS-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.38
Rot. Bonds4

About N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 103311182) has the molecular formula C10H12F6N2O and a molecular weight of 290.21 g/mol. Its IUPAC name is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID103311182
Molecular FormulaC10H12F6N2O
Molecular Weight290.21 g/mol
Exact Mass290.09
IUPAC NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H12F6N2O/c1-5(2)17-4-7-18-3-6(19-7)8(9(11,12)13)10(14,15)16/h3,5,8,17H,4H2,1-2H3
InChIKeyUOXBNZJFMIVYQS-UHFFFAOYSA-N
XLogP3.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 103311183
N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183862
N-[(5-butyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 65184198
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 107333671
N-[[5-(ethoxymethyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184149
N-[[5-(1-methylcyclohexyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 106829209
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183813
N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183949
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184050
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
N-[[5-(2-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183955

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 103311182) is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is UOXBNZJFMIVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O/c1-5(2)17-4-7-18-3-6(19-7)8(9(11,12)13)10(14,15)16/h3,5,8,17H,4H2,1-2H3.
What are the key properties of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 290.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103311182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).