4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one

C10H6N2O2S — CID 116966108

IUPAC4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C10H6N2O2S/c13-10-12-8(4-15-10)6-1-2-7-9(3-6)14-5-11-7/h1-5H,(H,12,13)
InChIKeyUDXFZFNZFSRWPG-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.24
Rot. Bonds1

About 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one

4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966108) has the molecular formula C10H6N2O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
PubChem CID116966108
Molecular FormulaC10H6N2O2S
Molecular Weight218.24 g/mol
Exact Mass218.01
IUPAC Name4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C10H6N2O2S/c13-10-12-8(4-15-10)6-1-2-7-9(3-6)14-5-11-7/h1-5H,(H,12,13)
InChIKeyUDXFZFNZFSRWPG-UHFFFAOYSA-N
XLogP2.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoxazole
CID 9228
Benzoxazole, 2-(4-methoxybenzylthio)-
CID 578373
6-[[6-[(dimethylamino)methyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 69708850
2-(1,3-Benzoxazol-2-ylsulfanyl)-1-phenylethanone
CID 684504
5-Methylbenzoxazole
CID 2724970
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 742355
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-cyclohexyl-N-[2-(methylthio)ethyl]-1,3-benzoxazole-6-carboxamide
CID 23723784
1,3-Benzoxazole-6-carboxylic acid
CID 22245938
1,3-Benzoxazole-5-carbaldehyde
CID 22348318
1,3-Benzoxazole-5-carbonitrile
CID 20380686
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2620903

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one (CID 116966108) is 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccc3ncoc3c2)cs1.
What is the InChIKey of 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The InChIKey is UDXFZFNZFSRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S/c13-10-12-8(4-15-10)6-1-2-7-9(3-6)14-5-11-7/h1-5H,(H,12,13).
What are the key properties of 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one has a molecular weight of 218.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).