2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H19N3O3 — CID 60684790

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCCC2CO)no1
InChIInChI=1S/C12H19N3O3/c1-9-6-11(14-18-9)13-12(17)7-15-5-3-2-4-10(15)8-16/h6,10,16H,2-5,7-8H2,1H3,(H,13,14,17)
InChIKeyUHRMOQMNDCAISL-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.77
Rot. Bonds4

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

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 60684790) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID60684790
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCCC2CO)no1
InChIInChI=1S/C12H19N3O3/c1-9-6-11(14-18-9)13-12(17)7-15-5-3-2-4-10(15)8-16/h6,10,16H,2-5,7-8H2,1H3,(H,13,14,17)
InChIKeyUHRMOQMNDCAISL-UHFFFAOYSA-N
XLogP0.77
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate
CID 51128046
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95304967
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95309298
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62015902
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47125609
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 60684790) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCCCC2CO)no1.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UHRMOQMNDCAISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-6-11(14-18-9)13-12(17)7-15-5-3-2-4-10(15)8-16/h6,10,16H,2-5,7-8H2,1H3,(H,13,14,17).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 60684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).