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

C22H18FN3O2S — CID 24668995

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H18FN3O2S/c23-18-9-5-4-8-17(18)19-13-25-21(28-19)11-10-20(27)24-12-16-14-29-22(26-16)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,24,27)
InChIKeyZIHXFGDTPYEDKQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.85
Rot. Bonds7

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 24668995) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID24668995
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H18FN3O2S/c23-18-9-5-4-8-17(18)19-13-25-21(28-19)11-10-20(27)24-12-16-14-29-22(26-16)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,24,27)
InChIKeyZIHXFGDTPYEDKQ-UHFFFAOYSA-N
XLogP4.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 24668995) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is ZIHXFGDTPYEDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-18-9-5-4-8-17(18)19-13-25-21(28-19)11-10-20(27)24-12-16-14-29-22(26-16)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,24,27).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24668995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).