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

C20H13FN2O4 — CID 137199880

IUPAC2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(-c3ccc(-c4ccc(O)c(F)c4)cc3)nc2c1
InChIInChI=1S/C20H13FN2O4/c21-15-9-13(5-7-17(15)24)11-1-3-12(4-2-11)20-22-16-10-14(19(25)23-26)6-8-18(16)27-20/h1-10,24,26H,(H,23,25)
InChIKeyAEMJKKYVAIBCKD-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.13
Rot. Bonds3

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

2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide (PubChem CID 137199880) has the molecular formula C20H13FN2O4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
PubChem CID137199880
Molecular FormulaC20H13FN2O4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(-c3ccc(-c4ccc(O)c(F)c4)cc3)nc2c1
InChIInChI=1S/C20H13FN2O4/c21-15-9-13(5-7-17(15)24)11-1-3-12(4-2-11)20-22-16-10-14(19(25)23-26)6-8-18(16)27-20/h1-10,24,26H,(H,23,25)
InChIKeyAEMJKKYVAIBCKD-UHFFFAOYSA-N
XLogP4.13
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.13
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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Related Compounds

2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 137199877
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53237443
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
4-nitro-N-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3331764
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide (CID 137199880) is 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide is O=C(NO)c1ccc2oc(-c3ccc(-c4ccc(O)c(F)c4)cc3)nc2c1.
What is the InChIKey of 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The InChIKey is AEMJKKYVAIBCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4/c21-15-9-13(5-7-17(15)24)11-1-3-12(4-2-11)20-22-16-10-14(19(25)23-26)6-8-18(16)27-20/h1-10,24,26H,(H,23,25).
What are the key properties of 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide?
2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 137199880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).