2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide

C17H22N2O4S — CID 5308844

IUPAC2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C17H22N2O4S/c1-4-9-18-16(20)11-24(21,22)10-15-13(3)23-17(19-15)14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyCVOWDWYYTPFKEU-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.40
Rot. Bonds7

About 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide

2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide (PubChem CID 5308844) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide
PubChem CID5308844
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C17H22N2O4S/c1-4-9-18-16(20)11-24(21,22)10-15-13(3)23-17(19-15)14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyCVOWDWYYTPFKEU-UHFFFAOYSA-N
XLogP2.40
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide?
The IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide (CID 5308844) is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide is CCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide?
The InChIKey is CVOWDWYYTPFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-9-18-16(20)11-24(21,22)10-15-13(3)23-17(19-15)14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide?
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide has a molecular weight of 350.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-propylacetamide is sourced from PubChem (CID 5308844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).