5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

C16H13ClN4O4S — CID 134130483

IUPAC5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
InChIKeyZYRYEGDPYHPNRA-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.48
Rot. Bonds4

About 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 134130483) has the molecular formula C16H13ClN4O4S and a molecular weight of 392.82 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID134130483
Molecular FormulaC16H13ClN4O4S
Molecular Weight392.82 g/mol
Exact Mass392.03
IUPAC Name5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
InChIKeyZYRYEGDPYHPNRA-UHFFFAOYSA-N
XLogP2.48
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (CID 134130483) is 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is Nc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZYRYEGDPYHPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24).
What are the key properties of 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 392.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134130483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).