(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide

C20H32N4O3 — CID 72852321

IUPAC(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2cc(C)no2)CN1C1CCCC1
InChIInChI=1S/C20H32N4O3/c1-4-23(5-2)20(26)18-11-15(13-24(18)16-8-6-7-9-16)21-19(25)12-17-10-14(3)22-27-17/h10,15-16,18H,4-9,11-13H2,1-3H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyVGWVLXAUTFEKFD-QAPCUYQASA-N
MW376.50 g/mol
LogP1.90
Rot. Bonds7

About (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide

(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide (PubChem CID 72852321) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
PubChem CID72852321
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2cc(C)no2)CN1C1CCCC1
InChIInChI=1S/C20H32N4O3/c1-4-23(5-2)20(26)18-11-15(13-24(18)16-8-6-7-9-16)21-19(25)12-17-10-14(3)22-27-17/h10,15-16,18H,4-9,11-13H2,1-3H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyVGWVLXAUTFEKFD-QAPCUYQASA-N
XLogP1.90
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91792882
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 96580597
N-cyclopropyl-2-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131897959
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 74245482

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide (CID 72852321) is (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2cc(C)no2)CN1C1CCCC1.
What is the InChIKey of (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide?
The InChIKey is VGWVLXAUTFEKFD-QAPCUYQASA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-23(5-2)20(26)18-11-15(13-24(18)16-8-6-7-9-16)21-19(25)12-17-10-14(3)22-27-17/h10,15-16,18H,4-9,11-13H2,1-3H3,(H,21,25)/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide?
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72852321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).