N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide

C23H19N3O3S — CID 166748298

IUPACN-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cnc(-c3ccccc3)o2)cc1SCc1ccccc1
InChIInChI=1S/C23H19N3O3S/c1-28-23-20(30-15-16-8-4-2-5-9-16)12-18(13-24-23)26-21(27)19-14-25-22(29-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyRJCRMVPLXKKEFA-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.29
Rot. Bonds7

About N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide

N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 166748298) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID166748298
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cnc(-c3ccccc3)o2)cc1SCc1ccccc1
InChIInChI=1S/C23H19N3O3S/c1-28-23-20(30-15-16-8-4-2-5-9-16)12-18(13-24-23)26-21(27)19-14-25-22(29-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyRJCRMVPLXKKEFA-UHFFFAOYSA-N
XLogP5.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681428
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
N-(2-ethoxyphenyl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681476
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
2-benzylsulfanyl-4-(methoxyamino)benzohydrazide
CID 155063388
2-methoxy-5-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pyridine-3-sulfinate
CID 166752460
N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 126839331
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 166748291
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
CID 110681510

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide (CID 166748298) is N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide is COc1ncc(NC(=O)c2cnc(-c3ccccc3)o2)cc1SCc1ccccc1.
What is the InChIKey of N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is RJCRMVPLXKKEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-28-23-20(30-15-16-8-4-2-5-9-16)12-18(13-24-23)26-21(27)19-14-25-22(29-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide?
N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166748298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).