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

C9H13F3N2O — CID 79145173

IUPACN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(2)13-4-7-8(15-5-14-7)3-9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyCTAYKDNAMSELHL-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.28
Rot. Bonds4

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

N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145173) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145173
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(2)13-4-7-8(15-5-14-7)3-9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyCTAYKDNAMSELHL-UHFFFAOYSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145173) is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1CC(F)(F)F.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is CTAYKDNAMSELHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)13-4-7-8(15-5-14-7)3-9(10,11)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 222.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).