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

C20H12F2N2O2S — CID 24875776

IUPAC2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ncco3)c2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H12F2N2O2S/c21-15-2-1-3-16(22)18(15)19(25)24-14-6-4-12(5-7-14)13-10-17(27-11-13)20-23-8-9-26-20/h1-11H,(H,24,25)
InChIKeyONUMOWYRZRJYOK-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.60
Rot. Bonds4

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

2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 24875776) has the molecular formula C20H12F2N2O2S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID24875776
Molecular FormulaC20H12F2N2O2S
Molecular Weight382.39 g/mol
Exact Mass382.06
IUPAC Name2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ncco3)c2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H12F2N2O2S/c21-15-2-1-3-16(22)18(15)19(25)24-14-6-4-12(5-7-14)13-10-17(27-11-13)20-23-8-9-26-20/h1-11H,(H,24,25)
InChIKeyONUMOWYRZRJYOK-UHFFFAOYSA-N
XLogP5.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide (CID 24875776) is 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(-c3ncco3)c2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is ONUMOWYRZRJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2S/c21-15-2-1-3-16(22)18(15)19(25)24-14-6-4-12(5-7-14)13-10-17(27-11-13)20-23-8-9-26-20/h1-11H,(H,24,25).
What are the key properties of 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 382.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 24875776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).