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

C21H25N3O2S — CID 110628550

IUPAC2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NC(CC(C)C)c2nccs2)c(C)o1
InChIInChI=1S/C21H25N3O2S/c1-13(2)11-18(21-22-9-10-27-21)23-19(25)12-17-15(4)26-20(24-17)16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,23,25)
InChIKeyDAHLTLAYCXADPG-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.86
Rot. Bonds7

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

2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide (PubChem CID 110628550) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
PubChem CID110628550
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NC(CC(C)C)c2nccs2)c(C)o1
InChIInChI=1S/C21H25N3O2S/c1-13(2)11-18(21-22-9-10-27-21)23-19(25)12-17-15(4)26-20(24-17)16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,23,25)
InChIKeyDAHLTLAYCXADPG-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide (CID 110628550) is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide is Cc1ccccc1-c1nc(CC(=O)NC(CC(C)C)c2nccs2)c(C)o1.
What is the InChIKey of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The InChIKey is DAHLTLAYCXADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13(2)11-18(21-22-9-10-27-21)23-19(25)12-17-15(4)26-20(24-17)16-8-6-5-7-14(16)3/h5-10,13,18H,11-12H2,1-4H3,(H,23,25).
What are the key properties of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 4.86, 7 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-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide is sourced from PubChem (CID 110628550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).