5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

C18H23N3O3 — CID 42122193

IUPAC5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1cc(C(=O)NC2CCOCC2)no1
InChIInChI=1S/C18H23N3O3/c1-21(12-14-5-3-2-4-6-14)13-16-11-17(20-24-16)18(22)19-15-7-9-23-10-8-15/h2-6,11,15H,7-10,12-13H2,1H3,(H,19,22)
InChIKeyJDNRVSFWARIAGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds6

About 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 42122193) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID42122193
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1cc(C(=O)NC2CCOCC2)no1
InChIInChI=1S/C18H23N3O3/c1-21(12-14-5-3-2-4-6-14)13-16-11-17(20-24-16)18(22)19-15-7-9-23-10-8-15/h2-6,11,15H,7-10,12-13H2,1H3,(H,19,22)
InChIKeyJDNRVSFWARIAGW-UHFFFAOYSA-N
XLogP2.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
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CID 95223807
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867
N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (CID 42122193) is 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1)Cc1cc(C(=O)NC2CCOCC2)no1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JDNRVSFWARIAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(12-14-5-3-2-4-6-14)13-16-11-17(20-24-16)18(22)19-15-7-9-23-10-8-15/h2-6,11,15H,7-10,12-13H2,1H3,(H,19,22).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42122193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).