2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone

C19H18N2O2S — CID 122330485

IUPAC2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1ccc(C2SCCN2C(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)19-21(10-11-24-19)18(22)12-16-15-4-2-3-5-17(15)23-20-16/h2-9,19H,10-12H2,1H3
InChIKeyWAPLSECKNCGLSE-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.95
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 122330485) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID122330485
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1ccc(C2SCCN2C(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)19-21(10-11-24-19)18(22)12-16-15-4-2-3-5-17(15)23-20-16/h2-9,19H,10-12H2,1H3
InChIKeyWAPLSECKNCGLSE-UHFFFAOYSA-N
XLogP3.95
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
2-(1,2-benzoxazol-3-yl)-1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102786626
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496
2-(1,2-benzoxazol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 56813264
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 115491768
1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 122330485) is 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone is Cc1ccc(C2SCCN2C(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WAPLSECKNCGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)19-21(10-11-24-19)18(22)12-16-15-4-2-3-5-17(15)23-20-16/h2-9,19H,10-12H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 338.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 122330485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).