Thozalinone

C11H12N2O2 — CID 12602

IUPAC2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(O1)C2=CC=CC=C2
InChIInChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyJJSHYECKYLDYAR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.50
Rot. Bonds2

About Thozalinone

Thozalinone (PubChem CID 12602) has the molecular formula C11H12N2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound NameThozalinone
PubChem CID12602
Molecular FormulaC11H12N2O2
Molecular Weight204.22 g/mol
Exact Mass204.09
IUPAC Name2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(O1)C2=CC=CC=C2
InChIInChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyJJSHYECKYLDYAR-UHFFFAOYSA-N
XLogP1.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pemoline
CID 4723
Cyclazodone
CID 135438121
Fenozolone
CID 135436543
2-Oxazolin-4-one, 5-phenyl-2-(2-propynylamino)-
CID 135400197
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
2-Amino-5-phenyl4(5H)-oxazolone
CID 137628477
2-Oxazolin-4-one, 2-(N-methyl-N-(1-methyl-2-propynyl)amino)-5-phenyl-
CID 118014
2-Diethylamino-5-phenyl-2-oxazolin-4-one
CID 121407
(2-Imino-5-phenyl-4-oxazolidinonato(2-))diaquomagnesium
CID 6101617
2-Amino-5-phenyl-2-oxazolin-4-one + Mg(OH)2
CID 84048
1-(5-Phenyl-4-oxo-2-oxazolin-2-yl)-4carbamoylpiperazine
CID 13011270
N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
CID 13011271

Frequently Asked Questions

What is the IUPAC name of Thozalinone?
The IUPAC name of Thozalinone (CID 12602) is 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for Thozalinone?
The canonical SMILES for Thozalinone is CN(C)C1=NC(=O)C(O1)C2=CC=CC=C2.
What is the InChIKey of Thozalinone?
The InChIKey is JJSHYECKYLDYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of Thozalinone?
Thozalinone has a molecular weight of 204.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Thozalinone is sourced from PubChem (CID 12602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).