1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one

C12H14N4O2S — CID 61359248

IUPAC1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one
SMILESNc1ccc2oc(SCCN3CCNC3=O)nc2c1
InChIInChI=1S/C12H14N4O2S/c13-8-1-2-10-9(7-8)15-12(18-10)19-6-5-16-4-3-14-11(16)17/h1-2,7H,3-6,13H2,(H,14,17)
InChIKeyOSKKKPSEEOOGHS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.53
Rot. Bonds4

About 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one

1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one (PubChem CID 61359248) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one
PubChem CID61359248
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one
SMILESNc1ccc2oc(SCCN3CCNC3=O)nc2c1
InChIInChI=1S/C12H14N4O2S/c13-8-1-2-10-9(7-8)15-12(18-10)19-6-5-16-4-3-14-11(16)17/h1-2,7H,3-6,13H2,(H,14,17)
InChIKeyOSKKKPSEEOOGHS-UHFFFAOYSA-N
XLogP1.53
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one (CID 61359248) is 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one is Nc1ccc2oc(SCCN3CCNC3=O)nc2c1.
What is the InChIKey of 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one?
The InChIKey is OSKKKPSEEOOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-8-1-2-10-9(7-8)15-12(18-10)19-6-5-16-4-3-14-11(16)17/h1-2,7H,3-6,13H2,(H,14,17).
What are the key properties of 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one?
1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one has a molecular weight of 278.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 61359248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).