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

C10H15F3N2O2 — CID 62444064

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C10H15F3N2O2/c1-2-3-14-5-8-4-9(17-15-8)6-16-7-10(11,12)13/h4,14H,2-3,5-7H2,1H3
InChIKeyNDJPAPXVMFQKDV-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.25
Rot. Bonds7

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

N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62444064) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62444064
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C10H15F3N2O2/c1-2-3-14-5-8-4-9(17-15-8)6-16-7-10(11,12)13/h4,14H,2-3,5-7H2,1H3
InChIKeyNDJPAPXVMFQKDV-UHFFFAOYSA-N
XLogP2.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62444064) is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is NDJPAPXVMFQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-3-14-5-8-4-9(17-15-8)6-16-7-10(11,12)13/h4,14H,2-3,5-7H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 252.24 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62444064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).