(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate

C17H18FN3O3 — CID 55367281

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-12(16(22)20-8-2-3-9-20)24-17(23)15-10-19-11-21(15)14-6-4-13(18)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyRHZJRWSYMLPDSE-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.18
Rot. Bonds4

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 55367281) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID55367281
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-12(16(22)20-8-2-3-9-20)24-17(23)15-10-19-11-21(15)14-6-4-13(18)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyRHZJRWSYMLPDSE-UHFFFAOYSA-N
XLogP2.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 30967826
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 18098975
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 55504840
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylate
CID 35735241
[1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 42918538
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8820686
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415768
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820503
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 55541422
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513779

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 55367281) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate is CC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is RHZJRWSYMLPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-12(16(22)20-8-2-3-9-20)24-17(23)15-10-19-11-21(15)14-6-4-13(18)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 55367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).