2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide

C20H24FN3O4 — CID 3675262

IUPAC2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide
SMILESCC(C(N)=O)N1OC2C(=O)N(C3CCCCC3)C(=O)C2C1c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4/c1-11(18(22)25)24-16(12-7-9-13(21)10-8-12)15-17(28-24)20(27)23(19(15)26)14-5-3-2-4-6-14/h7-11,14-17H,2-6H2,1H3,(H2,22,25)
InChIKeyQCXUIKBIHYZZPB-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.67
Rot. Bonds4

About 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide

2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide (PubChem CID 3675262) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide
PubChem CID3675262
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide
SMILESCC(C(N)=O)N1OC2C(=O)N(C3CCCCC3)C(=O)C2C1c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4/c1-11(18(22)25)24-16(12-7-9-13(21)10-8-12)15-17(28-24)20(27)23(19(15)26)14-5-3-2-4-6-14/h7-11,14-17H,2-6H2,1H3,(H2,22,25)
InChIKeyQCXUIKBIHYZZPB-UHFFFAOYSA-N
XLogP1.67
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide with MolForge

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Related Compounds

3-(5-cyclohexyl-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)propanamide
CID 3750242
2-[5-cyclohexyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 134082937
2-[3-[5-(4-bromophenyl)furan-2-yl]-5-cyclohexyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3522133
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
2-benzyl-5-cyclohexyl-3-(3-hydroxy-4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 134083025
3-(3-bromophenyl)-5-cyclohexyl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 5192018
(1S,3R,3aR,6aS)-5-cycloheptyl-5'-fluoro-1-[(1R)-1-hydroxyethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione
CID 7583829
(3R,3aR,6aR)-3-(4-fluorophenyl)-5-(2-methylpropyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7455059
4-butan-2-yl-1-cycloheptyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3292139
(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6593595
3-cyclopentyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83241955
1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 4186128

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide?
The IUPAC name of 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide (CID 3675262) is 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide.
What is the SMILES notation for 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide?
The canonical SMILES for 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide is CC(C(N)=O)N1OC2C(=O)N(C3CCCCC3)C(=O)C2C1c1ccc(F)cc1.
What is the InChIKey of 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide?
The InChIKey is QCXUIKBIHYZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-11(18(22)25)24-16(12-7-9-13(21)10-8-12)15-17(28-24)20(27)23(19(15)26)14-5-3-2-4-6-14/h7-11,14-17H,2-6H2,1H3,(H2,22,25).
What are the key properties of 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide?
2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide has a molecular weight of 389.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]propanamide is sourced from PubChem (CID 3675262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).