3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C8H12F3N3O2 — CID 116809022

IUPAC3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O2/c1-3-14(2)7-12-6(16-13-7)4-5(15)8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyLPGAHDOCKRMXKF-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.99
Rot. Bonds4

About 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 116809022) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID116809022
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O2/c1-3-14(2)7-12-6(16-13-7)4-5(15)8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyLPGAHDOCKRMXKF-UHFFFAOYSA-N
XLogP0.99
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116808870
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345603
1,1,1-trifluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346056
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349614
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116808238
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
1,1,1-trifluoro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808915

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 116809022) is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is CCN(C)c1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LPGAHDOCKRMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-3-14(2)7-12-6(16-13-7)4-5(15)8(9,10)11/h5,15H,3-4H2,1-2H3.
What are the key properties of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.20 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 116809022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).