3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one

C15H11F3N2O3 — CID 33268212

IUPAC3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-6-13(21)19(9-10)7-8-20-11-3-1-2-4-12(11)23-14(20)22/h1-6,9H,7-8H2
InChIKeyJJKXEISFCUMIIK-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.48
Rot. Bonds3

About 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one

3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 33268212) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one
PubChem CID33268212
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-6-13(21)19(9-10)7-8-20-11-3-1-2-4-12(11)23-14(20)22/h1-6,9H,7-8H2
InChIKeyJJKXEISFCUMIIK-UHFFFAOYSA-N
XLogP2.48
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 46573091
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 2744505
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 27990436
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 2746517
[4-(trifluoromethyl)phenyl]methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55444882
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
1-(3-bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 66192535

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one (CID 33268212) is 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one is O=c1ccc(C(F)(F)F)cn1CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is JJKXEISFCUMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-6-13(21)19(9-10)7-8-20-11-3-1-2-4-12(11)23-14(20)22/h1-6,9H,7-8H2.
What are the key properties of 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 324.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 33268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).