4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one

C11H11N3O2 — CID 116855847

IUPAC4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
SMILESCc1nc2ccc(C3CNC(=O)N3)cc2o1
InChIInChI=1S/C11H11N3O2/c1-6-13-8-3-2-7(4-10(8)16-6)9-5-12-11(15)14-9/h2-4,9H,5H2,1H3,(H2,12,14,15)
InChIKeyASYPBMDECLEHEV-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.49
Rot. Bonds1

About 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one

4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one (PubChem CID 116855847) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
PubChem CID116855847
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
SMILESCc1nc2ccc(C3CNC(=O)N3)cc2o1
InChIInChI=1S/C11H11N3O2/c1-6-13-8-3-2-7(4-10(8)16-6)9-5-12-11(15)14-9/h2-4,9H,5H2,1H3,(H2,12,14,15)
InChIKeyASYPBMDECLEHEV-UHFFFAOYSA-N
XLogP1.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one?
The IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one (CID 116855847) is 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one.
What is the SMILES notation for 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one?
The canonical SMILES for 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one is Cc1nc2ccc(C3CNC(=O)N3)cc2o1.
What is the InChIKey of 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one?
The InChIKey is ASYPBMDECLEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-13-8-3-2-7(4-10(8)16-6)9-5-12-11(15)14-9/h2-4,9H,5H2,1H3,(H2,12,14,15).
What are the key properties of 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one?
4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one is sourced from PubChem (CID 116855847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).