2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H7Cl3N2O3 — CID 122149844

IUPAC2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2O3/c12-6-3-7(13)10(17)8(9(6)14)11(18)15-4-5-1-2-16-19-5/h1-3,17H,4H2,(H,15,18)
InChIKeyBWMRPNCOBLEWPZ-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.27
Rot. Bonds3

About 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide

2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 122149844) has the molecular formula C11H7Cl3N2O3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID122149844
Molecular FormulaC11H7Cl3N2O3
Molecular Weight321.55 g/mol
Exact Mass319.95
IUPAC Name2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2O3/c12-6-3-7(13)10(17)8(9(6)14)11(18)15-4-5-1-2-16-19-5/h1-3,17H,4H2,(H,15,18)
InChIKeyBWMRPNCOBLEWPZ-UHFFFAOYSA-N
XLogP3.27
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 122149844) is 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide is O=C(NCc1ccno1)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is BWMRPNCOBLEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O3/c12-6-3-7(13)10(17)8(9(6)14)11(18)15-4-5-1-2-16-19-5/h1-3,17H,4H2,(H,15,18).
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide?
2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 321.55 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 122149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).