ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate

C15H17N3O4 — CID 74248382

IUPACethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCCC1c1ccco1
InChIInChI=1S/C15H17N3O4/c1-2-21-15(20)13-12(16-9-17-13)14(19)18-7-3-5-10(18)11-6-4-8-22-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyJWZGJPVVVDGYCT-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate

ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate (PubChem CID 74248382) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate
PubChem CID74248382
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCCC1c1ccco1
InChIInChI=1S/C15H17N3O4/c1-2-21-15(20)13-12(16-9-17-13)14(19)18-7-3-5-10(18)11-6-4-8-22-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyJWZGJPVVVDGYCT-UHFFFAOYSA-N
XLogP2.16
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 70717996
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
6-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98350659
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 97112593
(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 124848923

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate (CID 74248382) is ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)N1CCCC1c1ccco1.
What is the InChIKey of ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate?
The InChIKey is JWZGJPVVVDGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-21-15(20)13-12(16-9-17-13)14(19)18-7-3-5-10(18)11-6-4-8-22-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate?
ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 74248382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).