2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide

C26H17F2N3O2S — CID 45273930

IUPAC2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide
SMILESCc1ccc(-c2ncc(-c3cnco3)s2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H17F2N3O2S/c1-15-5-6-17(26-30-13-23(34-26)22-12-29-14-33-22)11-19(15)16-7-9-18(10-8-16)31-25(32)24-20(27)3-2-4-21(24)28/h2-14H,1H3,(H,31,32)
InChIKeyWHZNYHBVLKWNOK-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.97
Rot. Bonds5

About 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide (PubChem CID 45273930) has the molecular formula C26H17F2N3O2S and a molecular weight of 473.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide
PubChem CID45273930
Molecular FormulaC26H17F2N3O2S
Molecular Weight473.50 g/mol
Exact Mass473.10
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide
SMILESCc1ccc(-c2ncc(-c3cnco3)s2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H17F2N3O2S/c1-15-5-6-17(26-30-13-23(34-26)22-12-29-14-33-22)11-19(15)16-7-9-18(10-8-16)31-25(32)24-20(27)3-2-4-21(24)28/h2-14H,1H3,(H,31,32)
InChIKeyWHZNYHBVLKWNOK-UHFFFAOYSA-N
XLogP6.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide (CID 45273930) is 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide is Cc1ccc(-c2ncc(-c3cnco3)s2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide?
The InChIKey is WHZNYHBVLKWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O2S/c1-15-5-6-17(26-30-13-23(34-26)22-12-29-14-33-22)11-19(15)16-7-9-18(10-8-16)31-25(32)24-20(27)3-2-4-21(24)28/h2-14H,1H3,(H,31,32).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-5-[5-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]benzamide is sourced from PubChem (CID 45273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).