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

C22H17FN2O2S — CID 70957496

IUPAC2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cc1
InChIInChI=1S/C22H17FN2O2S/c1-13-4-3-5-18(23)21(13)22(26)25-16-8-6-15(7-9-16)17-10-20(28-14(17)2)19-11-24-12-27-19/h3-12H,1-2H3,(H,25,26)
InChIKeyZPQGMTPFWWYJON-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.08
Rot. Bonds4

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

2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 70957496) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID70957496
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cc1
InChIInChI=1S/C22H17FN2O2S/c1-13-4-3-5-18(23)21(13)22(26)25-16-8-6-15(7-9-16)17-10-20(28-14(17)2)19-11-24-12-27-19/h3-12H,1-2H3,(H,25,26)
InChIKeyZPQGMTPFWWYJON-UHFFFAOYSA-N
XLogP6.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide (CID 70957496) is 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide is Cc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cc1.
What is the InChIKey of 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is ZPQGMTPFWWYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-13-4-3-5-18(23)21(13)22(26)25-16-8-6-15(7-9-16)17-10-20(28-14(17)2)19-11-24-12-27-19/h3-12H,1-2H3,(H,25,26).
What are the key properties of 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide?
2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 70957496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).