2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H28N4O3 — CID 97008152

IUPAC2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cnc(CN(C)[C@@H]2CCN(CC(=O)NC[C@@H]3CCCO3)C2)o1
InChIInChI=1S/C17H28N4O3/c1-13-8-19-17(24-13)12-20(2)14-5-6-21(10-14)11-16(22)18-9-15-4-3-7-23-15/h8,14-15H,3-7,9-12H2,1-2H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyYLKWPQQMDDIGCO-CABCVRRESA-N
MW336.44 g/mol
LogP0.78
Rot. Bonds7

About 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97008152) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97008152
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cnc(CN(C)[C@@H]2CCN(CC(=O)NC[C@@H]3CCCO3)C2)o1
InChIInChI=1S/C17H28N4O3/c1-13-8-19-17(24-13)12-20(2)14-5-6-21(10-14)11-16(22)18-9-15-4-3-7-23-15/h8,14-15H,3-7,9-12H2,1-2H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyYLKWPQQMDDIGCO-CABCVRRESA-N
XLogP0.78
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97008154
(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine
CID 129490392
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124865666
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95334411
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94544768
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97008152) is 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NC[C@@H]3CCCO3)C2)o1.
What is the InChIKey of 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is YLKWPQQMDDIGCO-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-8-19-17(24-13)12-20(2)14-5-6-21(10-14)11-16(22)18-9-15-4-3-7-23-15/h8,14-15H,3-7,9-12H2,1-2H3,(H,18,22)/t14-,15+/m1/s1.
What are the key properties of 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97008152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).