3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide

C10H12N2O4S — CID 11043347

IUPAC3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(C2=NOC(S(N)(=O)=O)C2)cc1
InChIInChI=1S/C10H12N2O4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-5,10H,6H2,1H3,(H2,11,13,14)
InChIKeyDXLUZMFVIJMZRH-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.43
Rot. Bonds3

About 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide

3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide (PubChem CID 11043347) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide
PubChem CID11043347
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(C2=NOC(S(N)(=O)=O)C2)cc1
InChIInChI=1S/C10H12N2O4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-5,10H,6H2,1H3,(H2,11,13,14)
InChIKeyDXLUZMFVIJMZRH-UHFFFAOYSA-N
XLogP0.43
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)ethane-1-sulfonamide
CID 65445634
3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 42647376
(3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methanethiol
CID 10867918
(R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-dihydro-isoxazole
CID 10999644
3-(4-methoxyphenyl)-5-[(2R)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 44357750
3-(4-methoxyphenyl)-5-[(2S)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 44357766
5-(Fluoromethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 154714975
1-(4-Methoxyphenyl)ethanone o-methyloxime
CID 10910144
3-[[4-(Trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
CID 16664113
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135077951
(NE,S)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135078550
1-(4-Ethoxyphenyl)-1,2-propanedione dioxime
CID 135481547

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide (CID 11043347) is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide is COc1ccc(C2=NOC(S(N)(=O)=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide?
The InChIKey is DXLUZMFVIJMZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-5,10H,6H2,1H3,(H2,11,13,14).
What are the key properties of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide?
3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 11043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).