2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate

C16H12N3O5S- — CID 166752460

IUPAC2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate
SMILESCOc1ncc(NC(=O)c2coc(-c3ccccc3)n2)cc1S(=O)[O-]
InChIInChI=1S/C16H13N3O5S/c1-23-16-13(25(21)22)7-11(8-17-16)18-14(20)12-9-24-15(19-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,20)(H,21,22)/p-1
InChIKeyPMDDFOYLIZFUMQ-UHFFFAOYSA-M
MW358.36 g/mol
LogP2.24
Rot. Bonds5

About 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate

2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate (PubChem CID 166752460) has the molecular formula C16H12N3O5S- and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate.

Molecular Properties

Compound Name2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate
PubChem CID166752460
Molecular FormulaC16H12N3O5S-
Molecular Weight358.36 g/mol
Exact Mass358.05
IUPAC Name2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate
SMILESCOc1ncc(NC(=O)c2coc(-c3ccccc3)n2)cc1S(=O)[O-]
InChIInChI=1S/C16H13N3O5S/c1-23-16-13(25(21)22)7-11(8-17-16)18-14(20)12-9-24-15(19-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,20)(H,21,22)/p-1
InChIKeyPMDDFOYLIZFUMQ-UHFFFAOYSA-M
XLogP2.24
TPSA117.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 166748291
N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 166748298
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 67120454
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
2-[3-(3-amino-2-propan-2-yl-4-pyridinyl)butoxy]-5-[(5-phenyl-1,3-oxazole-2-carbonyl)amino]pyridine-3-sulfinate
CID 166752238
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 142524457
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 167876097
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate?
The IUPAC name of 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate (CID 166752460) is 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate.
What is the SMILES notation for 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate?
The canonical SMILES for 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate is COc1ncc(NC(=O)c2coc(-c3ccccc3)n2)cc1S(=O)[O-].
What is the InChIKey of 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate?
The InChIKey is PMDDFOYLIZFUMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O5S/c1-23-16-13(25(21)22)7-11(8-17-16)18-14(20)12-9-24-15(19-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,20)(H,21,22)/p-1.
What are the key properties of 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate?
2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate has a molecular weight of 358.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate is sourced from PubChem (CID 166752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).