1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one

C12H11N3O3S — CID 718589

IUPAC1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1nc2ccccc2o1)N1CCNC1=O
InChIInChI=1S/C12H11N3O3S/c16-10(15-6-5-13-11(15)17)7-19-12-14-8-3-1-2-4-9(8)18-12/h1-4H,5-7H2,(H,13,17)
InChIKeyJYTNISBMYQOYTJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 718589) has the molecular formula C12H11N3O3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID718589
Molecular FormulaC12H11N3O3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1nc2ccccc2o1)N1CCNC1=O
InChIInChI=1S/C12H11N3O3S/c16-10(15-6-5-13-11(15)17)7-19-12-14-8-3-1-2-4-9(8)18-12/h1-4H,5-7H2,(H,13,17)
InChIKeyJYTNISBMYQOYTJ-UHFFFAOYSA-N
XLogP1.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
L 696040
CID 131887
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
(1R,2R)-2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 9967252
2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
CID 2819294
3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(benzylcarbamoyl)acetamide
CID 2122382
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzoxazole
CID 24949386
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzoxazole
CID 24949534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one (CID 718589) is 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one is O=C(CSc1nc2ccccc2o1)N1CCNC1=O.
What is the InChIKey of 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is JYTNISBMYQOYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(15-6-5-13-11(15)17)7-19-12-14-8-3-1-2-4-9(8)18-12/h1-4H,5-7H2,(H,13,17).
What are the key properties of 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 277.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 718589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).