3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one

C15H13F3N2O2 — CID 2745740

IUPAC3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O2/c1-20(2)7-6-13(21)14-9-12(19-22-14)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3
InChIKeyMVDWGLOOMGDYNK-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.62
Rot. Bonds4

About 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one

3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one (PubChem CID 2745740) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
PubChem CID2745740
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O2/c1-20(2)7-6-13(21)14-9-12(19-22-14)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3
InChIKeyMVDWGLOOMGDYNK-UHFFFAOYSA-N
XLogP3.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
CID 2745542
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
CID 175790575
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
(1E,4E)-1-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 1479406
3-(dimethylamino)-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
CID 1491612
2-(dimethylamino)-N-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 126474962
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
(E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-ene-1-thione
CID 10999779

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one (CID 2745740) is 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one is CN(C)C=CC(=O)c1cc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one?
The InChIKey is MVDWGLOOMGDYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-20(2)7-6-13(21)14-9-12(19-22-14)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one has a molecular weight of 310.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 2745740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).