1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide

C15H11N3O4S2 — CID 90624665

IUPAC1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cc(-c2cccs2)no1
InChIInChI=1S/C15H11N3O4S2/c19-24(20,9-12-10-4-1-2-5-13(10)21-17-12)18-15-8-11(16-22-15)14-6-3-7-23-14/h1-8,18H,9H2
InChIKeyNWXKTNIJDKGNGK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.49
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 90624665) has the molecular formula C15H11N3O4S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID90624665
Molecular FormulaC15H11N3O4S2
Molecular Weight361.40 g/mol
Exact Mass361.02
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cc(-c2cccs2)no1
InChIInChI=1S/C15H11N3O4S2/c19-24(20,9-12-10-4-1-2-5-13(10)21-17-12)18-15-8-11(16-22-15)14-6-3-7-23-14/h1-8,18H,9H2
InChIKeyNWXKTNIJDKGNGK-UHFFFAOYSA-N
XLogP3.49
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 122264891
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
CID 90624474
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 126852474
1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
CID 90624530

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide (CID 90624665) is 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1cc(-c2cccs2)no1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is NWXKTNIJDKGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S2/c19-24(20,9-12-10-4-1-2-5-13(10)21-17-12)18-15-8-11(16-22-15)14-6-3-7-23-14/h1-8,18H,9H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 90624665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).