4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide

C19H17Cl2N3O5S — CID 87973487

IUPAC4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide
SMILESNS(=O)(=O)c1ccccc1-c1c(-c2ccc(Cl)c(Cl)c2)noc1CCCC(=O)NO
InChIInChI=1S/C19H17Cl2N3O5S/c20-13-9-8-11(10-14(13)21)19-18(12-4-1-2-6-16(12)30(22,27)28)15(29-24-19)5-3-7-17(25)23-26/h1-2,4,6,8-10,26H,3,5,7H2,(H,23,25)(H2,22,27,28)
InChIKeyJMFQYIUSTBYUCE-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.79
Rot. Bonds7

About 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide

4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide (PubChem CID 87973487) has the molecular formula C19H17Cl2N3O5S and a molecular weight of 470.33 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide
PubChem CID87973487
Molecular FormulaC19H17Cl2N3O5S
Molecular Weight470.33 g/mol
Exact Mass469.03
IUPAC Name4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide
SMILESNS(=O)(=O)c1ccccc1-c1c(-c2ccc(Cl)c(Cl)c2)noc1CCCC(=O)NO
InChIInChI=1S/C19H17Cl2N3O5S/c20-13-9-8-11(10-14(13)21)19-18(12-4-1-2-6-16(12)30(22,27)28)15(29-24-19)5-3-7-17(25)23-26/h1-2,4,6,8-10,26H,3,5,7H2,(H,23,25)(H2,22,27,28)
InChIKeyJMFQYIUSTBYUCE-UHFFFAOYSA-N
XLogP3.79
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide (CID 87973487) is 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide is NS(=O)(=O)c1ccccc1-c1c(-c2ccc(Cl)c(Cl)c2)noc1CCCC(=O)NO.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide?
The InChIKey is JMFQYIUSTBYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O5S/c20-13-9-8-11(10-14(13)21)19-18(12-4-1-2-6-16(12)30(22,27)28)15(29-24-19)5-3-7-17(25)23-26/h1-2,4,6,8-10,26H,3,5,7H2,(H,23,25)(H2,22,27,28).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide?
4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide has a molecular weight of 470.33 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87973487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).