N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

C24H16FN3O2S — CID 16602707

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H16FN3O2S/c25-17-5-3-4-16(12-17)24-27-19(14-31-24)13-22(29)26-18-10-8-15(9-11-18)23-28-20-6-1-2-7-21(20)30-23/h1-12,14H,13H2,(H,26,29)
InChIKeyNNBHSGBMUIOOKW-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.94
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16602707) has the molecular formula C24H16FN3O2S and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16602707
Molecular FormulaC24H16FN3O2S
Molecular Weight429.48 g/mol
Exact Mass429.09
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H16FN3O2S/c25-17-5-3-4-16(12-17)24-27-19(14-31-24)13-22(29)26-18-10-8-15(9-11-18)23-28-20-6-1-2-7-21(20)30-23/h1-12,14H,13H2,(H,26,29)
InChIKeyNNBHSGBMUIOOKW-UHFFFAOYSA-N
XLogP5.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 16602707) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NNBHSGBMUIOOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2S/c25-17-5-3-4-16(12-17)24-27-19(14-31-24)13-22(29)26-18-10-8-15(9-11-18)23-28-20-6-1-2-7-21(20)30-23/h1-12,14H,13H2,(H,26,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16602707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).