2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide

C19H8F5N3O2 — CID 2200224

IUPAC2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H8F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-1-2-11-10(7-9)27-19(29-11)8-3-5-25-6-4-8/h1-7H,(H,26,28)
InChIKeyPFCXKPZEFDPHKO-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.84
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide

2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 2200224) has the molecular formula C19H8F5N3O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID2200224
Molecular FormulaC19H8F5N3O2
Molecular Weight405.28 g/mol
Exact Mass405.05
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H8F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-1-2-11-10(7-9)27-19(29-11)8-3-5-25-6-4-8/h1-7H,(H,26,28)
InChIKeyPFCXKPZEFDPHKO-UHFFFAOYSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (CID 2200224) is 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is PFCXKPZEFDPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-1-2-11-10(7-9)27-19(29-11)8-3-5-25-6-4-8/h1-7H,(H,26,28).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 405.28 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 2200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).