2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile

C12H10N4O3 — CID 116980196

IUPAC2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
SMILESN#CCN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C12H10N4O3/c13-3-4-16-6-9(14-11(16)17)7-1-2-10-8(5-7)15-12(18)19-10/h1-2,5,9H,4,6H2,(H,14,17)(H,15,18)
InChIKeyWVPVTQAMVRJUIX-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.71
Rot. Bonds2

About 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile

2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile (PubChem CID 116980196) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
PubChem CID116980196
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
SMILESN#CCN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C12H10N4O3/c13-3-4-16-6-9(14-11(16)17)7-1-2-10-8(5-7)15-12(18)19-10/h1-2,5,9H,4,6H2,(H,14,17)(H,15,18)
InChIKeyWVPVTQAMVRJUIX-UHFFFAOYSA-N
XLogP0.71
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile 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-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
CID 116837000
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
CID 116963142
3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980277
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
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
CID 82379948

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile (CID 116980196) is 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile is N#CCN1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O.
What is the InChIKey of 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile?
The InChIKey is WVPVTQAMVRJUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-3-4-16-6-9(14-11(16)17)7-1-2-10-8(5-7)15-12(18)19-10/h1-2,5,9H,4,6H2,(H,14,17)(H,15,18).
What are the key properties of 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile?
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile has a molecular weight of 258.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 116980196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).