5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide

C17H14N4O6S — CID 12020031

IUPAC5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O6S/c1-11-14(10-18-27-11)17(22)19-15-4-2-3-5-16(15)20-28(25,26)13-8-6-12(7-9-13)21(23)24/h2-10,20H,1H3,(H,19,22)
InChIKeyAWSQOOCYQCHIPE-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.94
Rot. Bonds6

About 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 12020031) has the molecular formula C17H14N4O6S and a molecular weight of 402.39 g/mol. Its IUPAC name is 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID12020031
Molecular FormulaC17H14N4O6S
Molecular Weight402.39 g/mol
Exact Mass402.06
IUPAC Name5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O6S/c1-11-14(10-18-27-11)17(22)19-15-4-2-3-5-16(15)20-28(25,26)13-8-6-12(7-9-13)21(23)24/h2-10,20H,1H3,(H,19,22)
InChIKeyAWSQOOCYQCHIPE-UHFFFAOYSA-N
XLogP2.94
TPSA144.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
CID 75524313
4-methyl-N-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 11742969
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864379
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide (CID 12020031) is 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AWSQOOCYQCHIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6S/c1-11-14(10-18-27-11)17(22)19-15-4-2-3-5-16(15)20-28(25,26)13-8-6-12(7-9-13)21(23)24/h2-10,20H,1H3,(H,19,22).
What are the key properties of 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 12020031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).