3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

C17H15N5O3 — CID 167796115

IUPAC3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cnccn2)NC(=O)N(CCc2noc3ccccc23)C1=O
InChIInChI=1S/C17H15N5O3/c1-17(14-10-18-7-8-19-14)15(23)22(16(24)20-17)9-6-12-11-4-2-3-5-13(11)25-21-12/h2-5,7-8,10H,6,9H2,1H3,(H,20,24)
InChIKeyHYDPNYLKFNHJOE-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 167796115) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID167796115
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cnccn2)NC(=O)N(CCc2noc3ccccc23)C1=O
InChIInChI=1S/C17H15N5O3/c1-17(14-10-18-7-8-19-14)15(23)22(16(24)20-17)9-6-12-11-4-2-3-5-13(11)25-21-12/h2-5,7-8,10H,6,9H2,1H3,(H,20,24)
InChIKeyHYDPNYLKFNHJOE-UHFFFAOYSA-N
XLogP1.63
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 167796115) is 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is CC1(c2cnccn2)NC(=O)N(CCc2noc3ccccc23)C1=O.
What is the InChIKey of 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is HYDPNYLKFNHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-17(14-10-18-7-8-19-14)15(23)22(16(24)20-17)9-6-12-11-4-2-3-5-13(11)25-21-12/h2-5,7-8,10H,6,9H2,1H3,(H,20,24).
What are the key properties of 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 337.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 167796115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).