7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

C19H15F3N2O3 — CID 161228217

IUPAC7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)cc1
InChIInChI=1S/C19H15F3N2O3/c1-12-2-6-14(7-3-12)23-16(25)18(10-27-11-18)24(17(23)26)15-8-4-13(5-9-15)19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyYNJATJIGTGELRG-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.76
Rot. Bonds2

About 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 161228217) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID161228217
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)cc1
InChIInChI=1S/C19H15F3N2O3/c1-12-2-6-14(7-3-12)23-16(25)18(10-27-11-18)24(17(23)26)15-8-4-13(5-9-15)19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyYNJATJIGTGELRG-UHFFFAOYSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,4-oxazepan-5-one
CID 146298557
(1S,3aR,6aS)-1-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 6550300
1-(4-isocyanophenyl)-3-[7-(4-isocyanophenyl)-5-(4-methylphenyl)-6-oxo-2-oxa-5,7-diazaspiro[3.4]octan-8-ylidene]urea
CID 159224958
5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 3054228
4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115063945
3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 145417028
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione
CID 12904385
(3R,4S)-3-amino-1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503614
4-[(5R)-1-methyl-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
CID 146065705
1-(4-methylphenyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4,6-trione
CID 25174724

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (CID 161228217) is 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is Cc1ccc(N2C(=O)N(c3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is YNJATJIGTGELRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-12-2-6-14(7-3-12)23-16(25)18(10-27-11-18)24(17(23)26)15-8-4-13(5-9-15)19(20,21)22/h2-9H,10-11H2,1H3.
What are the key properties of 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 376.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 161228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).