N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide

C15H17N3O5S — CID 1117963

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C15H17N3O5S/c1-11-9-14(17-23-11)16-15(19)12-3-2-4-13(10-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19)
InChIKeyUBCLXDQTWLZKHD-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.26
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1117963) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1117963
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C15H17N3O5S/c1-11-9-14(17-23-11)16-15(19)12-3-2-4-13(10-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19)
InChIKeyUBCLXDQTWLZKHD-UHFFFAOYSA-N
XLogP1.26
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2344800
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7189756
3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 977323
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CID 2952736
1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide
CID 2425592
2-methyl-N-(5-methyl-3-isoxazolyl)-1,1,4-trioxo-3H-1$l^{6},2-benzothiazine-3-carboxamide
CID 20507134
4-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 969735
N-(5-tert-butylisoxazol-3-yl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1217143

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 1117963) is N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UBCLXDQTWLZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-11-9-14(17-23-11)16-15(19)12-3-2-4-13(10-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 351.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1117963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).