2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide

C16H19N3O5S — CID 7223581

IUPAC2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H19N3O5S/c1-11-9-15(18-24-11)17-16(20)13-10-12(5-6-14(13)23-2)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyHYJLKKQNPHOFKI-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.03
Rot. Bonds5

About 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 7223581) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID7223581
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H19N3O5S/c1-11-9-15(18-24-11)17-16(20)13-10-12(5-6-14(13)23-2)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyHYJLKKQNPHOFKI-UHFFFAOYSA-N
XLogP2.03
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 7223581) is 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HYJLKKQNPHOFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11-9-15(18-24-11)17-16(20)13-10-12(5-6-14(13)23-2)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 365.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7223581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).