N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine

C10H15F3N2O — CID 166789290

IUPACN-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCC(C)c1ocnc1CNCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-7(2)9-8(15-6-16-9)4-14-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyRKOBZLYDPMCLNF-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.84
Rot. Bonds5

About N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 166789290) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID166789290
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCC(C)c1ocnc1CNCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-7(2)9-8(15-6-16-9)4-14-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyRKOBZLYDPMCLNF-UHFFFAOYSA-N
XLogP2.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 166789290) is N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine is CCC(C)c1ocnc1CNCC(F)(F)F.
What is the InChIKey of N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is RKOBZLYDPMCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-7(2)9-8(15-6-16-9)4-14-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 236.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 166789290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).