N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide

C18H25N3O2 — CID 56758073

IUPACN,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(CN(C)CCc2ccccc2)on1
InChIInChI=1S/C18H25N3O2/c1-4-21(5-2)18(22)17-13-16(23-19-17)14-20(3)12-11-15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3
InChIKeyOWHCFXHYWAMXGB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.83
Rot. Bonds8

About N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide

N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56758073) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID56758073
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(CN(C)CCc2ccccc2)on1
InChIInChI=1S/C18H25N3O2/c1-4-21(5-2)18(22)17-13-16(23-19-17)14-20(3)12-11-15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3
InChIKeyOWHCFXHYWAMXGB-UHFFFAOYSA-N
XLogP2.83
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
N-methyl-5-[[methyl(2-phenylethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95221012
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
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
N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 78811228
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 56758073) is N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1cc(CN(C)CCc2ccccc2)on1.
What is the InChIKey of N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OWHCFXHYWAMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-21(5-2)18(22)17-13-16(23-19-17)14-20(3)12-11-15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56758073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).