1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea

C12H13N3O4S — CID 3774532

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)14-19-11/h3-7H,1-2H3,(H2,13,15,16)
InChIKeyDNZQFHFUVRGPNA-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.80
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea

1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 3774532) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID3774532
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)14-19-11/h3-7H,1-2H3,(H2,13,15,16)
InChIKeyDNZQFHFUVRGPNA-UHFFFAOYSA-N
XLogP1.80
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea (CID 3774532) is 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)no2)cc1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is DNZQFHFUVRGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)14-19-11/h3-7H,1-2H3,(H2,13,15,16).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 295.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3774532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).