4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine

C10H15F3N2O — CID 103893754

IUPAC4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine
SMILESCc1cnc(C(C)NCCCC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O/c1-7-6-15-9(16-7)8(2)14-5-3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyQUXMBSGAYQFDAE-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.98
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine

4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine (PubChem CID 103893754) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine
PubChem CID103893754
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine
SMILESCc1cnc(C(C)NCCCC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O/c1-7-6-15-9(16-7)8(2)14-5-3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyQUXMBSGAYQFDAE-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine (CID 103893754) is 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine is Cc1cnc(C(C)NCCCC(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine?
The InChIKey is QUXMBSGAYQFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7-6-15-9(16-7)8(2)14-5-3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine has a molecular weight of 236.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103893754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).