N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C17H12F2N2O2S — CID 50773598

IUPACN-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-7-14(13(19)8-12)21-16(22)10-24-17-20-9-15(23-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)
InChIKeyIWPWDQAPFOIPMF-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.35
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 50773598) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID50773598
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-7-14(13(19)8-12)21-16(22)10-24-17-20-9-15(23-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)
InChIKeyIWPWDQAPFOIPMF-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
1-(5-(3-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110637
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-(4-fluorophenyl)benzene-1-sulfonamide
CID 20959066
N'-tert-butyl-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 44291528
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 164619957
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
CID 139441299
2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376
2-((5-(3-bromophenyl)oxazol-2-yl)thio)-N-(2,4-difluorophenyl)acetamide
CID 27371631
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide
CID 164620492

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 50773598) is N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is O=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is IWPWDQAPFOIPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-12-6-7-14(13(19)8-12)21-16(22)10-24-17-20-9-15(23-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 50773598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).