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

C19H10F5N3O2 — CID 4274346

IUPAC2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NC(c1cccnc1)O2)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H10F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-3-4-11-10(6-9)27-19(29-11)8-2-1-5-25-7-8/h1-7,19,27H,(H,26,28)
InChIKeyZZBOBXOPNUHCPV-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.53
Rot. Bonds3

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

2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide (PubChem CID 4274346) has the molecular formula C19H10F5N3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide
PubChem CID4274346
Molecular FormulaC19H10F5N3O2
Molecular Weight407.30 g/mol
Exact Mass407.07
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NC(c1cccnc1)O2)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H10F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-3-4-11-10(6-9)27-19(29-11)8-2-1-5-25-7-8/h1-7,19,27H,(H,26,28)
InChIKeyZZBOBXOPNUHCPV-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.53
H-Bond Donors ≤ 52
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-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide (CID 4274346) is 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2c(c1)NC(c1cccnc1)O2)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is ZZBOBXOPNUHCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-3-4-11-10(6-9)27-19(29-11)8-2-1-5-25-7-8/h1-7,19,27H,(H,26,28).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 407.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 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-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 4274346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).