1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

C19H22N4O5 — CID 4826305

IUPAC1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1=O
InChIInChI=1S/C19H22N4O5/c1-5-6-7-21-17(25)18(26)22(19(21)27)10-15(24)14-8-11(2)23(13(14)4)16-9-12(3)28-20-16/h8-9H,5-7,10H2,1-4H3
InChIKeyGWPSIAZCBKSLAI-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.16
Rot. Bonds7

About 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 4826305) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID4826305
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1=O
InChIInChI=1S/C19H22N4O5/c1-5-6-7-21-17(25)18(26)22(19(21)27)10-15(24)14-8-11(2)23(13(14)4)16-9-12(3)28-20-16/h8-9H,5-7,10H2,1-4H3
InChIKeyGWPSIAZCBKSLAI-UHFFFAOYSA-N
XLogP2.16
TPSA105.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (CID 4826305) is 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1=O.
What is the InChIKey of 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is GWPSIAZCBKSLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-5-6-7-21-17(25)18(26)22(19(21)27)10-15(24)14-8-11(2)23(13(14)4)16-9-12(3)28-20-16/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 386.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 4826305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).