N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

C21H26N4O2S — CID 110628703

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NC(CC(C)C)c2nc(C)c(C)s2)n1
InChIInChI=1S/C21H26N4O2S/c1-12(2)10-17(21-22-14(4)15(5)28-21)23-18(26)11-19-24-20(25-27-19)16-9-7-6-8-13(16)3/h6-9,12,17H,10-11H2,1-5H3,(H,23,26)
InChIKeyOIGYERYBTRPHLL-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110628703) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110628703
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NC(CC(C)C)c2nc(C)c(C)s2)n1
InChIInChI=1S/C21H26N4O2S/c1-12(2)10-17(21-22-14(4)15(5)28-21)23-18(26)11-19-24-20(25-27-19)16-9-7-6-8-13(16)3/h6-9,12,17H,10-11H2,1-5H3,(H,23,26)
InChIKeyOIGYERYBTRPHLL-UHFFFAOYSA-N
XLogP4.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110308157
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110628698
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110424869
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110628703) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is Cc1ccccc1-c1noc(CC(=O)NC(CC(C)C)c2nc(C)c(C)s2)n1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is OIGYERYBTRPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-12(2)10-17(21-22-14(4)15(5)28-21)23-18(26)11-19-24-20(25-27-19)16-9-7-6-8-13(16)3/h6-9,12,17H,10-11H2,1-5H3,(H,23,26).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110628703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).