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

C19H27N3O2 — CID 95227296

IUPAC5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@@H](C)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H27N3O2/c1-14(2)15(3)22(5)19(23)18-11-17(24-20-18)13-21(4)12-16-9-7-6-8-10-16/h6-11,14-15H,12-13H2,1-5H3/t15-/m1/s1
InChIKeyFJRJGOBAJSNFSC-OAHLLOKOSA-N
MW329.44 g/mol
LogP3.42
Rot. Bonds7

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

5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 95227296) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID95227296
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@@H](C)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H27N3O2/c1-14(2)15(3)22(5)19(23)18-11-17(24-20-18)13-21(4)12-16-9-7-6-8-10-16/h6-11,14-15H,12-13H2,1-5H3/t15-/m1/s1
InChIKeyFJRJGOBAJSNFSC-OAHLLOKOSA-N
XLogP3.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 56758073
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
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-(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
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (CID 95227296) is 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)[C@@H](C)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FJRJGOBAJSNFSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)15(3)22(5)19(23)18-11-17(24-20-18)13-21(4)12-16-9-7-6-8-10-16/h6-11,14-15H,12-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.42, 7 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-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95227296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).