N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide

C23H24N4O7S — CID 10696713

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2C(=O)NO)cc1
InChIInChI=1S/C23H24N4O7S/c1-15-20(21(25-34-15)16-6-4-3-5-7-16)23(29)26-12-13-27(19(14-26)22(28)24-30)35(31,32)18-10-8-17(33-2)9-11-18/h3-11,19,30H,12-14H2,1-2H3,(H,24,28)
InChIKeyWQCOVODIHQDZNG-UHFFFAOYSA-N
MW500.53 g/mol
LogP1.68
Rot. Bonds6

About N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 10696713) has the molecular formula C23H24N4O7S and a molecular weight of 500.53 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID10696713
Molecular FormulaC23H24N4O7S
Molecular Weight500.53 g/mol
Exact Mass500.14
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2C(=O)NO)cc1
InChIInChI=1S/C23H24N4O7S/c1-15-20(21(25-34-15)16-6-4-3-5-7-16)23(29)26-12-13-27(19(14-26)22(28)24-30)35(31,32)18-10-8-17(33-2)9-11-18/h3-11,19,30H,12-14H2,1-2H3,(H,24,28)
InChIKeyWQCOVODIHQDZNG-UHFFFAOYSA-N
XLogP1.68
TPSA142.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl}{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}methanone
CID 25161947
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4794475
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807385
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4852042
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16359139
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25644756
N-[(3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 44306881
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 2453519
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4793470
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide
CID 46943963
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 2126580
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4807247

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide (CID 10696713) is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is WQCOVODIHQDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O7S/c1-15-20(21(25-34-15)16-6-4-3-5-7-16)23(29)26-12-13-27(19(14-26)22(28)24-30)35(31,32)18-10-8-17(33-2)9-11-18/h3-11,19,30H,12-14H2,1-2H3,(H,24,28).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 10696713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).