2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide

C17H16N4O3 — CID 42348179

IUPAC2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cnccn1)c1coc(COc2ccccc2)n1
InChIInChI=1S/C17H16N4O3/c22-17(20-7-6-13-10-18-8-9-19-13)15-11-24-16(21-15)12-23-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12H2,(H,20,22)
InChIKeyUOFLDKGPQWWBFP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.02
Rot. Bonds7

About 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42348179) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42348179
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cnccn1)c1coc(COc2ccccc2)n1
InChIInChI=1S/C17H16N4O3/c22-17(20-7-6-13-10-18-8-9-19-13)15-11-24-16(21-15)12-23-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12H2,(H,20,22)
InChIKeyUOFLDKGPQWWBFP-UHFFFAOYSA-N
XLogP2.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42213763
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
N-[(3R)-3-hydroxybutyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95189225
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
2-(4-phenylphenyl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 29029737
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42348179) is 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1cnccn1)c1coc(COc2ccccc2)n1.
What is the InChIKey of 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UOFLDKGPQWWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(20-7-6-13-10-18-8-9-19-13)15-11-24-16(21-15)12-23-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12H2,(H,20,22).
What are the key properties of 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42348179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).