2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide

C20H12F2N2O4 — CID 137199877

IUPAC2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(-c3ccc(-c4cccc(F)c4O)cc3F)nc2c1
InChIInChI=1S/C20H12F2N2O4/c21-14-3-1-2-12(18(14)25)10-4-6-13(15(22)8-10)20-23-16-9-11(19(26)24-27)5-7-17(16)28-20/h1-9,25,27H,(H,24,26)
InChIKeyLMNFLUFJXVYQLI-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.26
Rot. Bonds3

About 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide

2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide (PubChem CID 137199877) has the molecular formula C20H12F2N2O4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
PubChem CID137199877
Molecular FormulaC20H12F2N2O4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(-c3ccc(-c4cccc(F)c4O)cc3F)nc2c1
InChIInChI=1S/C20H12F2N2O4/c21-14-3-1-2-12(18(14)25)10-4-6-13(15(22)8-10)20-23-16-9-11(19(26)24-27)5-7-17(16)28-20/h1-9,25,27H,(H,24,26)
InChIKeyLMNFLUFJXVYQLI-UHFFFAOYSA-N
XLogP4.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide (CID 137199877) is 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide is O=C(NO)c1ccc2oc(-c3ccc(-c4cccc(F)c4O)cc3F)nc2c1.
What is the InChIKey of 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The InChIKey is LMNFLUFJXVYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O4/c21-14-3-1-2-12(18(14)25)10-4-6-13(15(22)8-10)20-23-16-9-11(19(26)24-27)5-7-17(16)28-20/h1-9,25,27H,(H,24,26).
What are the key properties of 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 137199877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).