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

C24H16FN3O2S — CID 73168705

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C24H16FN3O2S/c25-18-10-4-1-7-15(18)24-27-21(14-31-24)16-8-2-5-11-19(16)26-23(29)13-20-17-9-3-6-12-22(17)30-28-20/h1-12,14H,13H2,(H,26,29)
InChIKeyIMRMNFUOCIIUKU-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.94
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 73168705) has the molecular formula C24H16FN3O2S and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID73168705
Molecular FormulaC24H16FN3O2S
Molecular Weight429.48 g/mol
Exact Mass429.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C24H16FN3O2S/c25-18-10-4-1-7-15(18)24-27-21(14-31-24)16-8-2-5-11-19(16)26-23(29)13-20-17-9-3-6-12-22(17)30-28-20/h1-12,14H,13H2,(H,26,29)
InChIKeyIMRMNFUOCIIUKU-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 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 73168705) is 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is O=C(Cc1noc2ccccc12)Nc1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is IMRMNFUOCIIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2S/c25-18-10-4-1-7-15(18)24-27-21(14-31-24)16-8-2-5-11-19(16)26-23(29)13-20-17-9-3-6-12-22(17)30-28-20/h1-12,14H,13H2,(H,26,29).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]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 2-(1,2-benzoxazol-3-yl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 73168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).