3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine

C7H9F3N2O — CID 82401522

IUPAC3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C(F)(F)F)o1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-4-12-6(13-5)2-1-3-11/h4H,1-3,11H2
InChIKeyXCIHHDUXTBPNLL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.58
Rot. Bonds3

About 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 82401522) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID82401522
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C(F)(F)F)o1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-4-12-6(13-5)2-1-3-11/h4H,1-3,11H2
InChIKeyXCIHHDUXTBPNLL-UHFFFAOYSA-N
XLogP1.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 82401522) is 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(C(F)(F)F)o1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is XCIHHDUXTBPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)5-4-12-6(13-5)2-1-3-11/h4H,1-3,11H2.
What are the key properties of 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 194.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 82401522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).