4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol

C8H11F3N2O2 — CID 82391870

IUPAC4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol
SMILESNCCCC(O)c1conc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7-5(4-15-13-7)6(14)2-1-3-12/h4,6,14H,1-3,12H2
InChIKeyQEMLGZPCEJTOLV-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol

4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol (PubChem CID 82391870) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol
PubChem CID82391870
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol
SMILESNCCCC(O)c1conc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7-5(4-15-13-7)6(14)2-1-3-12/h4,6,14H,1-3,12H2
InChIKeyQEMLGZPCEJTOLV-UHFFFAOYSA-N
XLogP1.47
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol?
The IUPAC name of 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol (CID 82391870) is 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol.
What is the SMILES notation for 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol?
The canonical SMILES for 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol is NCCCC(O)c1conc1C(F)(F)F.
What is the InChIKey of 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol?
The InChIKey is QEMLGZPCEJTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)7-5(4-15-13-7)6(14)2-1-3-12/h4,6,14H,1-3,12H2.
What are the key properties of 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol?
4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol has a molecular weight of 224.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol is sourced from PubChem (CID 82391870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).