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

C24H24F3N3O4 — CID 10480056

IUPAC5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
SMILESCCCc1c(OCCCN2CC(c3ccccc3)C(=O)NC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C24H24F3N3O4/c1-2-7-16-19(11-10-17-20(16)34-29-21(17)24(25,26)27)33-13-6-12-30-14-18(22(31)28-23(30)32)15-8-4-3-5-9-15/h3-5,8-11,18H,2,6-7,12-14H2,1H3,(H,28,31,32)
InChIKeyJUYAYPBFCXSXMA-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.90
Rot. Bonds8

About 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione

5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione (PubChem CID 10480056) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
PubChem CID10480056
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
SMILESCCCc1c(OCCCN2CC(c3ccccc3)C(=O)NC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C24H24F3N3O4/c1-2-7-16-19(11-10-17-20(16)34-29-21(17)24(25,26)27)33-13-6-12-30-14-18(22(31)28-23(30)32)15-8-4-3-5-9-15/h3-5,8-11,18H,2,6-7,12-14H2,1H3,(H,28,31,32)
InChIKeyJUYAYPBFCXSXMA-UHFFFAOYSA-N
XLogP4.90
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione (CID 10480056) is 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione is CCCc1c(OCCCN2CC(c3ccccc3)C(=O)NC2=O)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione?
The InChIKey is JUYAYPBFCXSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-2-7-16-19(11-10-17-20(16)34-29-21(17)24(25,26)27)33-13-6-12-30-14-18(22(31)28-23(30)32)15-8-4-3-5-9-15/h3-5,8-11,18H,2,6-7,12-14H2,1H3,(H,28,31,32).
What are the key properties of 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione?
5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione has a molecular weight of 475.47 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10480056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).