4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide

C19H12FN3O2 — CID 675056

IUPAC4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2/c20-14-3-1-12(2-4-14)18(24)22-15-5-6-17-16(11-15)23-19(25-17)13-7-9-21-10-8-13/h1-11H,(H,22,24)
InChIKeySTEQKVLTPRIBIQ-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.28
Rot. Bonds3

About 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide

4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 675056) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID675056
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2/c20-14-3-1-12(2-4-14)18(24)22-15-5-6-17-16(11-15)23-19(25-17)13-7-9-21-10-8-13/h1-11H,(H,22,24)
InChIKeySTEQKVLTPRIBIQ-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.28
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-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (CID 675056) is 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is STEQKVLTPRIBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-3-1-12(2-4-14)18(24)22-15-5-6-17-16(11-15)23-19(25-17)13-7-9-21-10-8-13/h1-11H,(H,22,24).
What are the key properties of 4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 333.32 g/mol, XLogP of 4.28, 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-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 675056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).