3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C19H15FN4O3S — CID 3241885

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1
InChIInChI=1S/C19H15FN4O3S/c1-26-11-6-7-14-15(10-11)28-19(21-14)22-16(25)8-9-17-23-18(24-27-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,22,25)
InChIKeyAVUHWJQQTKZRSW-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.07
Rot. Bonds6

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 3241885) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID3241885
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1
InChIInChI=1S/C19H15FN4O3S/c1-26-11-6-7-14-15(10-11)28-19(21-14)22-16(25)8-9-17-23-18(24-27-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,22,25)
InChIKeyAVUHWJQQTKZRSW-UHFFFAOYSA-N
XLogP4.07
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 3241885) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is AVUHWJQQTKZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-26-11-6-7-14-15(10-11)28-19(21-14)22-16(25)8-9-17-23-18(24-27-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,22,25).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 398.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 3241885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).