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

C10H15F3N2O — CID 79144789

IUPACN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-6-8-9(16-7-15-8)3-4-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyXJGYBNBNYNPJEY-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.67
Rot. Bonds6

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

N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79144789) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79144789
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-6-8-9(16-7-15-8)3-4-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyXJGYBNBNYNPJEY-UHFFFAOYSA-N
XLogP2.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79144789) is N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1CCC(F)(F)F.
What is the InChIKey of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is XJGYBNBNYNPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-5-14-6-8-9(16-7-15-8)3-4-10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 236.24 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79144789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).