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

C19H22N4O2S — CID 56753053

IUPAC5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H22N4O2S/c1-14(18-20-9-10-26-18)23(3)19(24)17-11-16(25-21-17)13-22(2)12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyIDUFCYORSWOYFH-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.60
Rot. Bonds7

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

5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56753053) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID56753053
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C19H22N4O2S/c1-14(18-20-9-10-26-18)23(3)19(24)17-11-16(25-21-17)13-22(2)12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyIDUFCYORSWOYFH-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 56753053) is 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(c1nccs1)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IDUFCYORSWOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(18-20-9-10-26-18)23(3)19(24)17-11-16(25-21-17)13-22(2)12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56753053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).