4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C20H14FN3O2 — CID 17100756

IUPAC4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-12-11-14(20-24-18-17(26-20)3-2-10-22-18)6-9-16(12)23-19(25)13-4-7-15(21)8-5-13/h2-11H,1H3,(H,23,25)
InChIKeyPIDDWUPGRMMRMN-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.59
Rot. Bonds3

About 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 17100756) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID17100756
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-12-11-14(20-24-18-17(26-20)3-2-10-22-18)6-9-16(12)23-19(25)13-4-7-15(21)8-5-13/h2-11H,1H3,(H,23,25)
InChIKeyPIDDWUPGRMMRMN-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 17100756) is 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is PIDDWUPGRMMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12-11-14(20-24-18-17(26-20)3-2-10-22-18)6-9-16(12)23-19(25)13-4-7-15(21)8-5-13/h2-11H,1H3,(H,23,25).
What are the key properties of 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 347.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 17100756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).