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

C25H18FN3O2S — CID 16599574

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C25H18FN3O2S/c26-18-9-3-1-7-16(18)21-15-27-24(31-21)14-13-23(30)28-19-10-4-2-8-17(19)25-29-20-11-5-6-12-22(20)32-25/h1-12,15H,13-14H2,(H,28,30)
InChIKeyTYVCIFKPKZOHGH-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.33
Rot. Bonds6

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16599574) has the molecular formula C25H18FN3O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16599574
Molecular FormulaC25H18FN3O2S
Molecular Weight443.50 g/mol
Exact Mass443.11
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C25H18FN3O2S/c26-18-9-3-1-7-16(18)21-15-27-24(31-21)14-13-23(30)28-19-10-4-2-8-17(19)25-29-20-11-5-6-12-22(20)32-25/h1-12,15H,13-14H2,(H,28,30)
InChIKeyTYVCIFKPKZOHGH-UHFFFAOYSA-N
XLogP6.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16599574) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is TYVCIFKPKZOHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c26-18-9-3-1-7-16(18)21-15-27-24(31-21)14-13-23(30)28-19-10-4-2-8-17(19)25-29-20-11-5-6-12-22(20)32-25/h1-12,15H,13-14H2,(H,28,30).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 443.50 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16599574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).