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

C20H11F4N3O3 — CID 2980791

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F
InChIInChI=1S/C20H11F4N3O3/c1-29-18-16(23)14(21)13(15(22)17(18)24)19(28)26-10-2-3-12-11(8-10)27-20(30-12)9-4-6-25-7-5-9/h2-8H,1H3,(H,26,28)
InChIKeyCAAYKWSQNAIJKW-UHFFFAOYSA-N
MW417.32 g/mol
LogP4.71
Rot. Bonds4

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

2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 2980791) has the molecular formula C20H11F4N3O3 and a molecular weight of 417.32 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID2980791
Molecular FormulaC20H11F4N3O3
Molecular Weight417.32 g/mol
Exact Mass417.07
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F
InChIInChI=1S/C20H11F4N3O3/c1-29-18-16(23)14(21)13(15(22)17(18)24)19(28)26-10-2-3-12-11(8-10)27-20(30-12)9-4-6-25-7-5-9/h2-8H,1H3,(H,26,28)
InChIKeyCAAYKWSQNAIJKW-UHFFFAOYSA-N
XLogP4.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (CID 2980791) is 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is CAAYKWSQNAIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3O3/c1-29-18-16(23)14(21)13(15(22)17(18)24)19(28)26-10-2-3-12-11(8-10)27-20(30-12)9-4-6-25-7-5-9/h2-8H,1H3,(H,26,28).
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 417.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 2980791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).