N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

C11H14F3N3O2 — CID 177002452

IUPACN-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(F)(F)F)CC1)Nc1ccon1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-1-4-17(5-2-8)7-10(18)15-9-3-6-19-16-9/h3,6,8H,1-2,4-5,7H2,(H,15,16,18)
InChIKeyXTMHIASUDDOVOS-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.89
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 177002452) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID177002452
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(F)(F)F)CC1)Nc1ccon1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-1-4-17(5-2-8)7-10(18)15-9-3-6-19-16-9/h3,6,8H,1-2,4-5,7H2,(H,15,16,18)
InChIKeyXTMHIASUDDOVOS-UHFFFAOYSA-N
XLogP1.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (CID 177002452) is N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(C(F)(F)F)CC1)Nc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is XTMHIASUDDOVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8-1-4-17(5-2-8)7-10(18)15-9-3-6-19-16-9/h3,6,8H,1-2,4-5,7H2,(H,15,16,18).
What are the key properties of N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 177002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).