2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide

C19H19N5O2S — CID 110627643

IUPAC2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCc3csc4ncnn34)c(C)o2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-4-3-5-14(8-12)18-23-16(13(2)26-18)9-17(25)20-7-6-15-10-27-19-21-11-22-24(15)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,25)
InChIKeyKVRRGBPIEXRRTF-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.96
Rot. Bonds6

About 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (PubChem CID 110627643) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
PubChem CID110627643
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCc3csc4ncnn34)c(C)o2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-4-3-5-14(8-12)18-23-16(13(2)26-18)9-17(25)20-7-6-15-10-27-19-21-11-22-24(15)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,25)
InChIKeyKVRRGBPIEXRRTF-UHFFFAOYSA-N
XLogP2.96
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 6619445
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307602
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110419474
3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627635
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422110

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (CID 110627643) is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is Cc1cccc(-c2nc(CC(=O)NCCc3csc4ncnn34)c(C)o2)c1.
What is the InChIKey of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The InChIKey is KVRRGBPIEXRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-4-3-5-14(8-12)18-23-16(13(2)26-18)9-17(25)20-7-6-15-10-27-19-21-11-22-24(15)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,25).
What are the key properties of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 110627643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).