2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile

C11H8N4O3 — CID 116980073

IUPAC2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
SMILESN#CN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C11H8N4O3/c12-5-15-4-8(13-10(15)16)6-1-2-9-7(3-6)14-11(17)18-9/h1-3,8H,4H2,(H,13,16)(H,14,17)
InChIKeyOTEAZIXJDMIERU-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.67
Rot. Bonds1

About 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile

2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile (PubChem CID 116980073) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
PubChem CID116980073
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
SMILESN#CN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C11H8N4O3/c12-5-15-4-8(13-10(15)16)6-1-2-9-7(3-6)14-11(17)18-9/h1-3,8H,4H2,(H,13,16)(H,14,17)
InChIKeyOTEAZIXJDMIERU-UHFFFAOYSA-N
XLogP0.67
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116980072
4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980021
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
CID 116837000
2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)imidazolidine-1-carbonitrile
CID 116980052
5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
CID 116963142
4-(3-chloro-4-ethoxyphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980032
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116962874
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile?
The IUPAC name of 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile (CID 116980073) is 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile.
What is the SMILES notation for 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile?
The canonical SMILES for 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile is N#CN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O.
What is the InChIKey of 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile?
The InChIKey is OTEAZIXJDMIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c12-5-15-4-8(13-10(15)16)6-1-2-9-7(3-6)14-11(17)18-9/h1-3,8H,4H2,(H,13,16)(H,14,17).
What are the key properties of 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile?
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile has a molecular weight of 244.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile is sourced from PubChem (CID 116980073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).