2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C11H16F3N3O3 — CID 111022254

IUPAC2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCCO)CC(F)(F)F)on1
InChIInChI=1S/C11H16F3N3O3/c1-8-5-10(20-16-8)15-9(19)6-17(3-2-4-18)7-11(12,13)14/h5,18H,2-4,6-7H2,1H3,(H,15,19)
InChIKeyQWYOQJJNIYLEJO-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.17
Rot. Bonds7

About 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 111022254) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID111022254
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCCO)CC(F)(F)F)on1
InChIInChI=1S/C11H16F3N3O3/c1-8-5-10(20-16-8)15-9(19)6-17(3-2-4-18)7-11(12,13)14/h5,18H,2-4,6-7H2,1H3,(H,15,19)
InChIKeyQWYOQJJNIYLEJO-UHFFFAOYSA-N
XLogP1.17
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 37097840
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109944
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022260
methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186
3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123061
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51097261
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94799712

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 111022254) is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN(CCCO)CC(F)(F)F)on1.
What is the InChIKey of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QWYOQJJNIYLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-8-5-10(20-16-8)15-9(19)6-17(3-2-4-18)7-11(12,13)14/h5,18H,2-4,6-7H2,1H3,(H,15,19).
What are the key properties of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 295.26 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 111022254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).