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

C20H15FN2O3 — CID 166668504

IUPAC2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc(-c3ccccc3F)cc1)O2
InChIInChI=1S/C20H15FN2O3/c21-16-4-2-1-3-15(16)12-5-7-13(8-6-12)20-22-17-11-14(19(24)23-25)9-10-18(17)26-20/h1-11,20,22,25H,(H,23,24)
InChIKeyNSLTYFGDQSJPHD-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.11
Rot. Bonds3

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

2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668504) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668504
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc(-c3ccccc3F)cc1)O2
InChIInChI=1S/C20H15FN2O3/c21-16-4-2-1-3-15(16)12-5-7-13(8-6-12)20-22-17-11-14(19(24)23-25)9-10-18(17)26-20/h1-11,20,22,25H,(H,23,24)
InChIKeyNSLTYFGDQSJPHD-UHFFFAOYSA-N
XLogP4.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668504) is 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide is O=C(NO)c1ccc2c(c1)NC(c1ccc(-c3ccccc3F)cc1)O2.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is NSLTYFGDQSJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-4-2-1-3-15(16)12-5-7-13(8-6-12)20-22-17-11-14(19(24)23-25)9-10-18(17)26-20/h1-11,20,22,25H,(H,23,24).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).