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

C18H18N4O3 — CID 45236623

IUPAC2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1coc(COc2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-13(9-14-10-19-7-8-20-14)21-18(23)16-11-25-17(22-16)12-24-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,23)
InChIKeyCGMXYAYJAWNWBU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.40
Rot. Bonds7

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

2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 45236623) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID45236623
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1coc(COc2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-13(9-14-10-19-7-8-20-14)21-18(23)16-11-25-17(22-16)12-24-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,23)
InChIKeyCGMXYAYJAWNWBU-UHFFFAOYSA-N
XLogP2.40
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42348179
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 42512160
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-[(2S)-butan-2-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 26405987
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788453
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
N-[(2S)-1-hydroxybutan-2-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56709380
2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 72891309
3-(2-methoxyphenyl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91775688
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide (CID 45236623) is 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide is CC(Cc1cnccn1)NC(=O)c1coc(COc2ccccc2)n1.
What is the InChIKey of 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is CGMXYAYJAWNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13(9-14-10-19-7-8-20-14)21-18(23)16-11-25-17(22-16)12-24-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,23).
What are the key properties of 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45236623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).