3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione

C14H17N3O3 — CID 56799099

IUPAC3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCOc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-13-10-15-14(19)17(13)7-3-6-16-8-9-20-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10H2,(H,15,19)
InChIKeyOEWUFSKLXTXFLK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.83
Rot. Bonds4

About 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione

3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione (PubChem CID 56799099) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione
PubChem CID56799099
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCOc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-13-10-15-14(19)17(13)7-3-6-16-8-9-20-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10H2,(H,15,19)
InChIKeyOEWUFSKLXTXFLK-UHFFFAOYSA-N
XLogP0.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione (CID 56799099) is 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCN1CCOc2ccccc21.
What is the InChIKey of 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is OEWUFSKLXTXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-10-15-14(19)17(13)7-3-6-16-8-9-20-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10H2,(H,15,19).
What are the key properties of 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione?
3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56799099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).