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

C19H26N2O3S — CID 5308649

IUPACN-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCCC(C)C)c(C)o2)cc1
InChIInChI=1S/C19H26N2O3S/c1-13(2)9-10-20-18(22)12-25(23)11-17-15(4)24-19(21-17)16-7-5-14(3)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyDHWDJMDOWUKWPO-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.37
Rot. Bonds8

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

N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 5308649) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID5308649
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCCC(C)C)c(C)o2)cc1
InChIInChI=1S/C19H26N2O3S/c1-13(2)9-10-20-18(22)12-25(23)11-17-15(4)24-19(21-17)16-7-5-14(3)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyDHWDJMDOWUKWPO-UHFFFAOYSA-N
XLogP3.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Darglitazone
CID 60870
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
CID 4174238
Ethyl 4-{[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]amino}piperidine-1-carboxylate
CID 3237206
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
1-[4-(3-Chlorophenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfinyl}ethan-1-one
CID 16007920
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
N,4-dimethyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 1484170
({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetic acid
CID 15997868

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 5308649) is N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is Cc1ccc(-c2nc(CS(=O)CC(=O)NCCC(C)C)c(C)o2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is DHWDJMDOWUKWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13(2)9-10-20-18(22)12-25(23)11-17-15(4)24-19(21-17)16-7-5-14(3)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 5308649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).