1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

C12H16F3N3O3 — CID 79664676

IUPAC1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCCCN1CCOC(c2noc(CC(=O)C(F)(F)F)n2)C1
InChIInChI=1S/C12H16F3N3O3/c1-2-3-18-4-5-20-8(7-18)11-16-10(21-17-11)6-9(19)12(13,14)15/h8H,2-7H2,1H3
InChIKeyJZQWDXDUSDKWBG-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.53
Rot. Bonds5

About 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 79664676) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID79664676
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCCCN1CCOC(c2noc(CC(=O)C(F)(F)F)n2)C1
InChIInChI=1S/C12H16F3N3O3/c1-2-3-18-4-5-20-8(7-18)11-16-10(21-17-11)6-9(19)12(13,14)15/h8H,2-7H2,1H3
InChIKeyJZQWDXDUSDKWBG-UHFFFAOYSA-N
XLogP1.53
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one with MolForge

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Related Compounds

N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525813
1,1,1-trifluoro-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79968585
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664531
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-4-propylmorpholine
CID 79663243

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 79664676) is 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is CCCN1CCOC(c2noc(CC(=O)C(F)(F)F)n2)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is JZQWDXDUSDKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-2-3-18-4-5-20-8(7-18)11-16-10(21-17-11)6-9(19)12(13,14)15/h8H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 307.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 79664676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).