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

C20H13F2N3O2S — CID 45280753

IUPAC2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCc1sc(-c2cnco2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H13F2N3O2S/c1-11-18(25-20(28-11)16-9-23-10-27-16)12-5-7-13(8-6-12)24-19(26)17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,24,26)
InChIKeyVUPQBAPQAGAKLE-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

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

2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 45280753) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID45280753
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCc1sc(-c2cnco2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H13F2N3O2S/c1-11-18(25-20(28-11)16-9-23-10-27-16)12-5-7-13(8-6-12)24-19(26)17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,24,26)
InChIKeyVUPQBAPQAGAKLE-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.30
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-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide (CID 45280753) is 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide is Cc1sc(-c2cnco2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is VUPQBAPQAGAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-18(25-20(28-11)16-9-23-10-27-16)12-5-7-13(8-6-12)24-19(26)17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,24,26).
What are the key properties of 2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 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-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 45280753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).