N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C19H17BrN2O3S — CID 38640316

IUPACN-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)co2)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-24-17-8-2-13(3-9-17)19-22-16(10-25-19)11-26-12-18(23)21-15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyGVEKCYCRSDODQM-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.98
Rot. Bonds7

About N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 38640316) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID38640316
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC NameN-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)co2)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-24-17-8-2-13(3-9-17)19-22-16(10-25-19)11-26-12-18(23)21-15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyGVEKCYCRSDODQM-UHFFFAOYSA-N
XLogP4.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 38640368
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 38640468
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266
N-[1-(4-chlorophenyl)ethyl]-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 78850949
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
CID 38639522
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
CID 42281861
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
N-(4-bromo-2-methylphenyl)-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55770865

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 38640316) is N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is COc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)co2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is GVEKCYCRSDODQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-24-17-8-2-13(3-9-17)19-22-16(10-25-19)11-26-12-18(23)21-15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 433.33 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38640316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).