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

C12H13N3O2 — CID 116982944

IUPAC4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(c2ccc3ncoc3c2)N(C)C1=O
InChIInChI=1S/C12H13N3O2/c1-14-6-10(15(2)12(14)16)8-3-4-9-11(5-8)17-7-13-9/h3-5,7,10H,6H2,1-2H3
InChIKeyLYZSGVRZDDNGMG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.87
Rot. Bonds1

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

4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one (PubChem CID 116982944) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one
PubChem CID116982944
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(c2ccc3ncoc3c2)N(C)C1=O
InChIInChI=1S/C12H13N3O2/c1-14-6-10(15(2)12(14)16)8-3-4-9-11(5-8)17-7-13-9/h3-5,7,10H,6H2,1-2H3
InChIKeyLYZSGVRZDDNGMG-UHFFFAOYSA-N
XLogP1.87
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one (CID 116982944) is 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one is CN1CC(c2ccc3ncoc3c2)N(C)C1=O.
What is the InChIKey of 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one?
The InChIKey is LYZSGVRZDDNGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-6-10(15(2)12(14)16)8-3-4-9-11(5-8)17-7-13-9/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one?
4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 116982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).