(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H17ClN4O3 — CID 138015692

IUPAC(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NCc2ccc(Cl)o2)[C@H]1c1nccn1C
InChIInChI=1S/C15H17ClN4O3/c1-19-6-5-17-14(19)13-10(7-12(21)20(13)2)15(22)18-8-9-3-4-11(16)23-9/h3-6,10,13H,7-8H2,1-2H3,(H,18,22)/t10-,13-/m0/s1
InChIKeySHLMUANFSHOKOI-GWCFXTLKSA-N
MW336.78 g/mol
LogP1.50
Rot. Bonds4

About (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 138015692) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID138015692
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NCc2ccc(Cl)o2)[C@H]1c1nccn1C
InChIInChI=1S/C15H17ClN4O3/c1-19-6-5-17-14(19)13-10(7-12(21)20(13)2)15(22)18-8-9-3-4-11(16)23-9/h3-6,10,13H,7-8H2,1-2H3,(H,18,22)/t10-,13-/m0/s1
InChIKeySHLMUANFSHOKOI-GWCFXTLKSA-N
XLogP1.50
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015761
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 128984667
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130506
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 125135854
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
(2S,3S)-1-methyl-5-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 125431962
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 138055780
3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2S,3R)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 154773468
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 138012829

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 138015692) is (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)NCc2ccc(Cl)o2)[C@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SHLMUANFSHOKOI-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-19-6-5-17-14(19)13-10(7-12(21)20(13)2)15(22)18-8-9-3-4-11(16)23-9/h3-6,10,13H,7-8H2,1-2H3,(H,18,22)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138015692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).