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

C18H24N2O4S — CID 5308185

IUPACN-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C
InChIInChI=1S/C18H24N2O4S/c1-5-12(2)19-17(21)11-25(22)10-16-13(3)24-18(20-16)14-7-6-8-15(9-14)23-4/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyDWKWWSHMHVKNEZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.82
Rot. Bonds8

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

N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 5308185) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID5308185
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C
InChIInChI=1S/C18H24N2O4S/c1-5-12(2)19-17(21)11-25(22)10-16-13(3)24-18(20-16)14-7-6-8-15(9-14)23-4/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyDWKWWSHMHVKNEZ-UHFFFAOYSA-N
XLogP2.82
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 5308185) is N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is CCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C.
What is the InChIKey of N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is DWKWWSHMHVKNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-5-12(2)19-17(21)11-25(22)10-16-13(3)24-18(20-16)14-7-6-8-15(9-14)23-4/h6-9,12H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 5308185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).