2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

C19H26N4O3S — CID 86986255

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C19H26N4O3S/c1-12(2)21-19(25)22-16-7-5-15(6-8-16)9-20-18(24)11-27-10-17-13(3)23-26-14(17)4/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H2,21,22,25)
InChIKeyGVZRSCHEBFQARH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.37
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (PubChem CID 86986255) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
PubChem CID86986255
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C19H26N4O3S/c1-12(2)21-19(25)22-16-7-5-15(6-8-16)9-20-18(24)11-27-10-17-13(3)23-26-14(17)4/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H2,21,22,25)
InChIKeyGVZRSCHEBFQARH-UHFFFAOYSA-N
XLogP3.37
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide with MolForge

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Related Compounds

3-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541216
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 47935438
2-(2-methylphenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46464831
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922368
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 30377907
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484487
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-2-phenylbutyl)acetamide
CID 86981270
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 55865738
N-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 43062564

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (CID 86986255) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is Cc1noc(C)c1CSCC(=O)NCc1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The InChIKey is GVZRSCHEBFQARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12(2)21-19(25)22-16-7-5-15(6-8-16)9-20-18(24)11-27-10-17-13(3)23-26-14(17)4/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H2,21,22,25).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 86986255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).