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

C17H20N2O4S — CID 5309666

IUPACN-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1cccc(-c2nc(CS(=O)CC(=O)NC3CC3)c(C)o2)c1
InChIInChI=1S/C17H20N2O4S/c1-11-15(9-24(21)10-16(20)18-13-6-7-13)19-17(23-11)12-4-3-5-14(8-12)22-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyMRZIMDDSPNUPIX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.19
Rot. Bonds7

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

N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 5309666) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID5309666
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1cccc(-c2nc(CS(=O)CC(=O)NC3CC3)c(C)o2)c1
InChIInChI=1S/C17H20N2O4S/c1-11-15(9-24(21)10-16(20)18-13-6-7-13)19-17(23-11)12-4-3-5-14(8-12)22-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyMRZIMDDSPNUPIX-UHFFFAOYSA-N
XLogP2.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 5309666) is N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is COc1cccc(-c2nc(CS(=O)CC(=O)NC3CC3)c(C)o2)c1.
What is the InChIKey of N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is MRZIMDDSPNUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-15(9-24(21)10-16(20)18-13-6-7-13)19-17(23-11)12-4-3-5-14(8-12)22-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 5309666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).