1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea

C23H20N4O6S — CID 87973602

IUPAC1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCOc1ccc(-c2nc(-c3ccc(N(O)C(N)=O)cc3)oc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H20N4O6S/c1-32-18-10-4-14(5-11-18)20-21(15-6-12-19(13-7-15)34(25,30)31)33-22(26-20)16-2-8-17(9-3-16)27(29)23(24)28/h2-13,29H,1H3,(H2,24,28)(H2,25,30,31)
InChIKeyWVRALLWFMSKHAQ-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.61
Rot. Bonds6

About 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea

1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea (PubChem CID 87973602) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea
PubChem CID87973602
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCOc1ccc(-c2nc(-c3ccc(N(O)C(N)=O)cc3)oc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H20N4O6S/c1-32-18-10-4-14(5-11-18)20-21(15-6-12-19(13-7-15)34(25,30)31)33-22(26-20)16-2-8-17(9-3-16)27(29)23(24)28/h2-13,29H,1H3,(H2,24,28)(H2,25,30,31)
InChIKeyWVRALLWFMSKHAQ-UHFFFAOYSA-N
XLogP3.61
TPSA161.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The IUPAC name of 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea (CID 87973602) is 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea.
What is the SMILES notation for 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The canonical SMILES for 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea is COc1ccc(-c2nc(-c3ccc(N(O)C(N)=O)cc3)oc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The InChIKey is WVRALLWFMSKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-32-18-10-4-14(5-11-18)20-21(15-6-12-19(13-7-15)34(25,30)31)33-22(26-20)16-2-8-17(9-3-16)27(29)23(24)28/h2-13,29H,1H3,(H2,24,28)(H2,25,30,31).
What are the key properties of 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea has a molecular weight of 480.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[4-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]phenyl]urea is sourced from PubChem (CID 87973602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).