N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide

C20H19FN2O2S — CID 42932713

IUPACN-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H19FN2O2S/c1-14(19(24)23(2)13-15-6-4-3-5-7-15)26-20-22-12-18(25-20)16-8-10-17(21)11-9-16/h3-12,14H,13H2,1-2H3
InChIKeyRHXNETNIEMXBKK-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.62
Rot. Bonds6

About N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide

N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide (PubChem CID 42932713) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide
PubChem CID42932713
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H19FN2O2S/c1-14(19(24)23(2)13-15-6-4-3-5-7-15)26-20-22-12-18(25-20)16-8-10-17(21)11-9-16/h3-12,14H,13H2,1-2H3
InChIKeyRHXNETNIEMXBKK-UHFFFAOYSA-N
XLogP4.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 75866644
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 46814265
(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
CID 40810328
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
1-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 46692867
(2S)-N-benzyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 7418461
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 46814482
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide
CID 7756102
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide (CID 42932713) is N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide is CC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide?
The InChIKey is RHXNETNIEMXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-14(19(24)23(2)13-15-6-4-3-5-7-15)26-20-22-12-18(25-20)16-8-10-17(21)11-9-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide?
N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide has a molecular weight of 370.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide is sourced from PubChem (CID 42932713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).