2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C13H21N3O3 — CID 62015902

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCCC2CO)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)11-6-13(19-15-11)14-12(18)7-16-5-3-4-10(16)8-17/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,18)
InChIKeyIWBFQOMOSIGSDI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 62015902) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID62015902
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCCC2CO)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)11-6-13(19-15-11)14-12(18)7-16-5-3-4-10(16)8-17/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,18)
InChIKeyIWBFQOMOSIGSDI-UHFFFAOYSA-N
XLogP1.19
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl(oxan-4-yl)amino]propanamide
CID 49848443
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67953265
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide
CID 67953277
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 67953298
(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67953329
Example 7 in WO2010147792
CID 49848571
3-(3-tert-Butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methylimidazolidin-2-one
CID 156910
US10112934, Example 6
CID 86297584
2-(3-oxopiperazin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 26002848
1-[2-Oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 29933891
N-methyl-1-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 31688805
2-(4-piperidin-1-ylpiperidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 51102021

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 62015902) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(NC(=O)CN2CCCC2CO)on1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is IWBFQOMOSIGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)11-6-13(19-15-11)14-12(18)7-16-5-3-4-10(16)8-17/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,18).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 62015902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).