N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H19N3O4S — CID 5217489

IUPACN-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H19N3O4S/c1-13-10-15(24-2)8-9-16(13)20-17(23)12-27-19-22-21-18(26-19)11-25-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyRMHBJLUWZKIZES-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.70
Rot. Bonds8

About N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 5217489) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID5217489
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H19N3O4S/c1-13-10-15(24-2)8-9-16(13)20-17(23)12-27-19-22-21-18(26-19)11-25-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyRMHBJLUWZKIZES-UHFFFAOYSA-N
XLogP3.70
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 5217489) is N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RMHBJLUWZKIZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-10-15(24-2)8-9-16(13)20-17(23)12-27-19-22-21-18(26-19)11-25-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 5217489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).