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

C20H16FN3O3S — CID 29496795

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCc3ncc(-c4ccccc4F)o3)nc12
InChIInChI=1S/C20H16FN3O3S/c1-26-14-7-4-8-16-19(14)24-20(28-16)23-17(25)9-10-18-22-11-15(27-18)12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,23,24,25)
InChIKeyWKNOUONNLIEJJI-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.67
Rot. Bonds6

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 29496795) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID29496795
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCc3ncc(-c4ccccc4F)o3)nc12
InChIInChI=1S/C20H16FN3O3S/c1-26-14-7-4-8-16-19(14)24-20(28-16)23-17(25)9-10-18-22-11-15(27-18)12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,23,24,25)
InChIKeyWKNOUONNLIEJJI-UHFFFAOYSA-N
XLogP4.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16591529
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 29499309
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 53269263
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32868629
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 29496795) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1cccc2sc(NC(=O)CCc3ncc(-c4ccccc4F)o3)nc12.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is WKNOUONNLIEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-26-14-7-4-8-16-19(14)24-20(28-16)23-17(25)9-10-18-22-11-15(27-18)12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,23,24,25).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 397.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 29496795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).