N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine

C14H15F3N2O — CID 65240224

IUPACN-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O/c1-9(2)18-7-11-8-19-20-13(11)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyDGEDMXXRHQIPAH-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.86
Rot. Bonds4

About N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine

N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 65240224) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
PubChem CID65240224
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O/c1-9(2)18-7-11-8-19-20-13(11)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyDGEDMXXRHQIPAH-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine (CID 65240224) is N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is DGEDMXXRHQIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)18-7-11-8-19-20-13(11)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65240224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).