(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C19H32N4O2 — CID 95282319

IUPAC(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1
InChIInChI=1S/C19H32N4O2/c1-5-17(19(24)20-18-11-15(4)25-21-18)22-10-6-7-16(12-22)23-13(2)8-9-14(23)3/h11,13-14,16-17H,5-10,12H2,1-4H3,(H,20,21,24)/t13-,14+,16-,17+/m0/s1
InChIKeyGXXDSOMAEKNULX-HDEZJCGLSA-N
MW348.49 g/mol
LogP3.04
Rot. Bonds5

About (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 95282319) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID95282319
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1
InChIInChI=1S/C19H32N4O2/c1-5-17(19(24)20-18-11-15(4)25-21-18)22-10-6-7-16(12-22)23-13(2)8-9-14(23)3/h11,13-14,16-17H,5-10,12H2,1-4H3,(H,20,21,24)/t13-,14+,16-,17+/m0/s1
InChIKeyGXXDSOMAEKNULX-HDEZJCGLSA-N
XLogP3.04
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide with MolForge

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 100871755
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 97025158
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3R)-2-oxoazepan-3-yl]piperazin-1-yl]butanamide
CID 95785782
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butanamide
CID 95610196
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 55682492
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95288126
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]hexanamide
CID 86773310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 95282319) is (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1.
What is the InChIKey of (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is GXXDSOMAEKNULX-HDEZJCGLSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-17(19(24)20-18-11-15(4)25-21-18)22-10-6-7-16(12-22)23-13(2)8-9-14(23)3/h11,13-14,16-17H,5-10,12H2,1-4H3,(H,20,21,24)/t13-,14+,16-,17+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 348.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 95282319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).