1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione

C17H18F3N3O4 — CID 10091455

IUPAC1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCN2CC(=O)NC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C17H18F3N3O4/c1-2-4-10-12(26-8-3-7-23-9-13(24)21-16(23)25)6-5-11-14(10)27-22-15(11)17(18,19)20/h5-6H,2-4,7-9H2,1H3,(H,21,24,25)
InChIKeyADAUMTKXPKVYLB-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.12
Rot. Bonds7

About 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione

1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione (PubChem CID 10091455) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
PubChem CID10091455
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCN2CC(=O)NC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C17H18F3N3O4/c1-2-4-10-12(26-8-3-7-23-9-13(24)21-16(23)25)6-5-11-14(10)27-22-15(11)17(18,19)20/h5-6H,2-4,7-9H2,1H3,(H,21,24,25)
InChIKeyADAUMTKXPKVYLB-UHFFFAOYSA-N
XLogP3.12
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione (CID 10091455) is 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione is CCCc1c(OCCCN2CC(=O)NC2=O)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?
The InChIKey is ADAUMTKXPKVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-2-4-10-12(26-8-3-7-23-9-13(24)21-16(23)25)6-5-11-14(10)27-22-15(11)17(18,19)20/h5-6H,2-4,7-9H2,1H3,(H,21,24,25).
What are the key properties of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?
1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione has a molecular weight of 385.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10091455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).