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

C18H23N3O5S — CID 1217143

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C18H23N3O5S/c1-18(2,3)15-12-16(20-26-15)19-17(22)13-5-4-6-14(11-13)27(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,20,22)
InChIKeyYOBMGOJDJDQFNQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.25
Rot. Bonds4

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1217143) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1217143
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C18H23N3O5S/c1-18(2,3)15-12-16(20-26-15)19-17(22)13-5-4-6-14(11-13)27(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,20,22)
InChIKeyYOBMGOJDJDQFNQ-UHFFFAOYSA-N
XLogP2.25
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.25
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
N-3-isoxazolyl-3-(1-piperidinylsulfonyl)benzamide
CID 2952736
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
2-methoxy-N-(5-methyl-3-isoxazolyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1258146
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2354951

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 1217143) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is CC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YOBMGOJDJDQFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-18(2,3)15-12-16(20-26-15)19-17(22)13-5-4-6-14(11-13)27(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1217143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).