3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H20FN3O3 — CID 31688665

IUPAC3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(F)cc3)n1)C2=O
InChIInChI=1S/C19H20FN3O3/c1-12-6-8-19(9-7-12)17(24)23(18(25)22-19)10-15-11-26-16(21-15)13-2-4-14(20)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,22,25)
InChIKeyJMKCBCYQPNWSTO-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.48
Rot. Bonds3

About 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 31688665) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID31688665
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(F)cc3)n1)C2=O
InChIInChI=1S/C19H20FN3O3/c1-12-6-8-19(9-7-12)17(24)23(18(25)22-19)10-15-11-26-16(21-15)13-2-4-14(20)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,22,25)
InChIKeyJMKCBCYQPNWSTO-UHFFFAOYSA-N
XLogP3.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18207948
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 18275324
3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 104513859
cyclopropyl-[(4-fluorophenyl)methyl]-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9285702
5,5-diphenyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 29336701
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 24657434

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 31688665) is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(F)cc3)n1)C2=O.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JMKCBCYQPNWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-6-8-19(9-7-12)17(24)23(18(25)22-19)10-15-11-26-16(21-15)13-2-4-14(20)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,22,25).
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 31688665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).