4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide

C15H18N2O5S — CID 110632422

IUPAC4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(C)on2)cc1S(C)(=O)=O
InChIInChI=1S/C15H18N2O5S/c1-10-8-12(17-22-10)6-7-16-15(18)11-4-5-13(21-2)14(9-11)23(3,19)20/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyUQAXJHQDBPCNFX-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.37
Rot. Bonds6

About 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide

4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide (PubChem CID 110632422) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
PubChem CID110632422
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(C)on2)cc1S(C)(=O)=O
InChIInChI=1S/C15H18N2O5S/c1-10-8-12(17-22-10)6-7-16-15(18)11-4-5-13(21-2)14(9-11)23(3,19)20/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyUQAXJHQDBPCNFX-UHFFFAOYSA-N
XLogP1.37
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110632717
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632085
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide (CID 110632422) is 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide is COc1ccc(C(=O)NCCc2cc(C)on2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is UQAXJHQDBPCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10-8-12(17-22-10)6-7-16-15(18)11-4-5-13(21-2)14(9-11)23(3,19)20/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide?
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide has a molecular weight of 338.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 110632422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).