2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C21H19N3O3S — CID 43020280

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3SCc3c(C)noc3C)ccc2o1
InChIInChI=1S/C21H19N3O3S/c1-12-17(13(2)27-24-12)11-28-20-7-5-4-6-16(20)21(25)23-15-8-9-19-18(10-15)22-14(3)26-19/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyFKLYUSLHKOAYRH-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.29
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 43020280) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID43020280
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3SCc3c(C)noc3C)ccc2o1
InChIInChI=1S/C21H19N3O3S/c1-12-17(13(2)27-24-12)11-28-20-7-5-4-6-16(20)21(25)23-15-8-9-19-18(10-15)22-14(3)26-19/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyFKLYUSLHKOAYRH-UHFFFAOYSA-N
XLogP5.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide with MolForge

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490452
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 36653778
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-1,3-benzoxazol-5-yl)naphthalene-2-carboxamide
CID 30663353
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)benzamide
CID 36709348
dimethyl 5-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345944
N-[4-(2-amino-2-oxoethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 31861495
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9490441
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29278545
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 47005068
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26689787

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 43020280) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccccc3SCc3c(C)noc3C)ccc2o1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is FKLYUSLHKOAYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-12-17(13(2)27-24-12)11-28-20-7-5-4-6-16(20)21(25)23-15-8-9-19-18(10-15)22-14(3)26-19/h4-10H,11H2,1-3H3,(H,23,25).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 43020280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).