(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide

C19H14Cl2F2N2O2S — CID 30833272

IUPAC(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
SMILESC[C@@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H14Cl2F2N2O2S/c1-10(19(26)24-18-15(22)3-2-4-16(18)23)28-9-12-8-17(25-27-12)13-6-5-11(20)7-14(13)21/h2-8,10H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyKOGYCJQAELDDLR-SNVBAGLBSA-N
MW443.30 g/mol
LogP6.19
Rot. Bonds6

About (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide

(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide (PubChem CID 30833272) has the molecular formula C19H14Cl2F2N2O2S and a molecular weight of 443.30 g/mol. Its IUPAC name is (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
PubChem CID30833272
Molecular FormulaC19H14Cl2F2N2O2S
Molecular Weight443.30 g/mol
Exact Mass442.01
IUPAC Name(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
SMILESC[C@@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H14Cl2F2N2O2S/c1-10(19(26)24-18-15(22)3-2-4-16(18)23)28-9-12-8-17(25-27-12)13-6-5-11(20)7-14(13)21/h2-8,10H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyKOGYCJQAELDDLR-SNVBAGLBSA-N
XLogP6.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 43058159
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455
4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 30833269
(2S)-2-[(3-chlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94199759
(2R)-N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 34508270
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 30833286
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium
CID 2547497
1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one
CID 158228178
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
N-(2,6-difluorophenyl)-2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]propanamide
CID 46575754

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide (CID 30833272) is (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide is C[C@@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide?
The InChIKey is KOGYCJQAELDDLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14Cl2F2N2O2S/c1-10(19(26)24-18-15(22)3-2-4-16(18)23)28-9-12-8-17(25-27-12)13-6-5-11(20)7-14(13)21/h2-8,10H,9H2,1H3,(H,24,26)/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide?
(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide has a molecular weight of 443.30 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 30833272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).