N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide

C14H18N2O4S — CID 110402437

IUPACN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1oncc1-c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-4-9-21(17,18)16-14-13(10-15-20-14)11-5-7-12(19-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyLJLZFKUZMRTFSX-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.89
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide (PubChem CID 110402437) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
PubChem CID110402437
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1oncc1-c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-4-9-21(17,18)16-14-13(10-15-20-14)11-5-7-12(19-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyLJLZFKUZMRTFSX-UHFFFAOYSA-N
XLogP2.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide
CID 110402127
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
CID 110402428
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110402478
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042814
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide (CID 110402437) is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1oncc1-c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide?
The InChIKey is LJLZFKUZMRTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-4-9-21(17,18)16-14-13(10-15-20-14)11-5-7-12(19-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide?
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide is sourced from PubChem (CID 110402437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).