[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C20H20FN3O5 — CID 8848845

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1c(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O5/c1-12-15(23-29-17(12)13-4-6-14(21)7-5-13)11-28-16(25)10-24-18(26)20(22-19(24)27)8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,22,27)
InChIKeyBBOBTGOXNCQCAF-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.70
Rot. Bonds5

About [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 8848845) has the molecular formula C20H20FN3O5 and a molecular weight of 401.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID8848845
Molecular FormulaC20H20FN3O5
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1c(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O5/c1-12-15(23-29-17(12)13-4-6-14(21)7-5-13)11-28-16(25)10-24-18(26)20(22-19(24)27)8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,22,27)
InChIKeyBBOBTGOXNCQCAF-UHFFFAOYSA-N
XLogP2.70
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
(3,5-dimethylphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42985969
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822058
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46643128
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8749844
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821532
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 8841400
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094202
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 8879863
2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821452
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9124039

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 8848845) is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is Cc1c(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)noc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is BBOBTGOXNCQCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5/c1-12-15(23-29-17(12)13-4-6-14(21)7-5-13)11-28-16(25)10-24-18(26)20(22-19(24)27)8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,22,27).
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 401.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 8848845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).