3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

C20H16FN3O2S — CID 29499309

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C20H16FN3O2S/c1-12-3-2-4-16-19(12)24-20(27-16)23-17(25)9-10-18-22-11-15(26-18)13-5-7-14(21)8-6-13/h2-8,11H,9-10H2,1H3,(H,23,24,25)
InChIKeyXRALXJFLIBGECH-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.97
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 29499309) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID29499309
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C20H16FN3O2S/c1-12-3-2-4-16-19(12)24-20(27-16)23-17(25)9-10-18-22-11-15(26-18)13-5-7-14(21)8-6-13/h2-8,11H,9-10H2,1H3,(H,23,24,25)
InChIKeyXRALXJFLIBGECH-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24599330

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (CID 29499309) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1cccc2sc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc12.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is XRALXJFLIBGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-12-3-2-4-16-19(12)24-20(27-16)23-17(25)9-10-18-22-11-15(26-18)13-5-7-14(21)8-6-13/h2-8,11H,9-10H2,1H3,(H,23,24,25).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 29499309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).