5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

C18H25N3O2 — CID 56759676

IUPAC5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C18H25N3O2/c1-5-18(2,3)19-17(22)16-11-15(23-20-16)13-21(4)12-14-9-7-6-8-10-14/h6-11H,5,12-13H2,1-4H3,(H,19,22)
InChIKeyXXSFRATYDASPAF-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.22
Rot. Bonds7

About 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 56759676) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID56759676
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C18H25N3O2/c1-5-18(2,3)19-17(22)16-11-15(23-20-16)13-21(4)12-14-9-7-6-8-10-14/h6-11H,5,12-13H2,1-4H3,(H,19,22)
InChIKeyXXSFRATYDASPAF-UHFFFAOYSA-N
XLogP3.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
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5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
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CID 95227296
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
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3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
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5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
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5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
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N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 56759676) is 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is CCC(C)(C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XXSFRATYDASPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-18(2,3)19-17(22)16-11-15(23-20-16)13-21(4)12-14-9-7-6-8-10-14/h6-11H,5,12-13H2,1-4H3,(H,19,22).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56759676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).