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

C19H27N3O2 — CID 56745106

IUPAC5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H27N3O2/c1-5-15(3)22(6-2)19(23)18-12-17(24-20-18)14-21(4)13-16-10-8-7-9-11-16/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyXOGGYNDMXOIRFF-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.57
Rot. Bonds8

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

5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 56745106) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID56745106
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H27N3O2/c1-5-15(3)22(6-2)19(23)18-12-17(24-20-18)14-21(4)13-16-10-8-7-9-11-16/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyXOGGYNDMXOIRFF-UHFFFAOYSA-N
XLogP3.57
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 56758073
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
5-[(4-acetylphenoxy)methyl]-N-[(2R)-butan-2-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 95215232
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-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95226276

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide (CID 56745106) is 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide is CCC(C)N(CC)C(=O)c1cc(CN(C)Cc2ccccc2)on1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is XOGGYNDMXOIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-15(3)22(6-2)19(23)18-12-17(24-20-18)14-21(4)13-16-10-8-7-9-11-16/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56745106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).