2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide

C18H15ClFN3O4S — CID 75399606

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClFN3O4S/c1-28(25,26)23-16-8-13(20)6-7-15(16)22-17(24)9-14-10-27-18(21-14)11-2-4-12(19)5-3-11/h2-8,10,23H,9H2,1H3,(H,22,24)
InChIKeyRXRJEJPLFWWCGJ-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide (PubChem CID 75399606) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide
PubChem CID75399606
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClFN3O4S/c1-28(25,26)23-16-8-13(20)6-7-15(16)22-17(24)9-14-10-27-18(21-14)11-2-4-12(19)5-3-11/h2-8,10,23H,9H2,1H3,(H,22,24)
InChIKeyRXRJEJPLFWWCGJ-UHFFFAOYSA-N
XLogP3.69
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803562
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide
CID 86771278
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55677449
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093347
2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 68506647
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide
CID 75463806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide (CID 75399606) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cc(F)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is RXRJEJPLFWWCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-28(25,26)23-16-8-13(20)6-7-15(16)22-17(24)9-14-10-27-18(21-14)11-2-4-12(19)5-3-11/h2-8,10,23H,9H2,1H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 423.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 75399606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).