2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C18H19N3O2S — CID 110624732

IUPAC2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NCCc2cscn2)c(C)o1
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)18-21-16(13(2)23-18)9-17(22)19-8-7-14-10-24-11-20-14/h3-6,10-11H,7-9H2,1-2H3,(H,19,22)
InChIKeyCLUUBYNGGXBJAN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.32
Rot. Bonds6

About 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110624732) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110624732
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NCCc2cscn2)c(C)o1
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)18-21-16(13(2)23-18)9-17(22)19-8-7-14-10-24-11-20-14/h3-6,10-11H,7-9H2,1-2H3,(H,19,22)
InChIKeyCLUUBYNGGXBJAN-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612675
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625162
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110609935
2-(5-phenyl-1,2-oxazol-3-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110313138
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110608808
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 110624732) is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is Cc1ccccc1-c1nc(CC(=O)NCCc2cscn2)c(C)o1.
What is the InChIKey of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is CLUUBYNGGXBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)18-21-16(13(2)23-18)9-17(22)19-8-7-14-10-24-11-20-14/h3-6,10-11H,7-9H2,1-2H3,(H,19,22).
What are the key properties of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110624732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).