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

C17H22N2O5S — CID 5307093

IUPACN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C17H22N2O5S/c1-12-4-6-14(7-5-12)17-19-15(13(2)24-17)10-25(21,22)11-16(20)18-8-9-23-3/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyVJQVSUSKNNQVOI-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.64
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 5307093) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID5307093
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C17H22N2O5S/c1-12-4-6-14(7-5-12)17-19-15(13(2)24-17)10-25(21,22)11-16(20)18-8-9-23-3/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKeyVJQVSUSKNNQVOI-UHFFFAOYSA-N
XLogP1.64
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Darglitazone
CID 60870
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
Ethyl 4-{[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]amino}piperidine-1-carboxylate
CID 3237206
4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20916937
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3243297
2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-tetralin-1-yl-acetamide
CID 9550784
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(2-methoxyphenyl)methyl]acetamide
CID 16007888
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
1-[4-(2,3-Dimethylphenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfonyl}ethan-1-one
CID 16008047
({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetic acid
CID 15997868
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
N-(3-isopropoxypropyl)-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3236024

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 5307093) is N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is COCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is VJQVSUSKNNQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-12-4-6-14(7-5-12)17-19-15(13(2)24-17)10-25(21,22)11-16(20)18-8-9-23-3/h4-7H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 5307093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).