2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C10H15F3N2O — CID 79144646

IUPAC2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(2)4-14-5-8-9(16-6-15-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyMHQPZLMHVUXCGX-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79144646) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79144646
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(2)4-14-5-8-9(16-6-15-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyMHQPZLMHVUXCGX-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79144646) is 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1ncoc1CC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is MHQPZLMHVUXCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(2)4-14-5-8-9(16-6-15-8)3-10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 236.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79144646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).