2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H17FN2O3 — CID 135477395

IUPAC2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cc(NC(=O)c4ccccc4F)cc(C)c3O)nc2c1
InChIInChI=1S/C22H17FN2O3/c1-12-7-8-19-18(9-12)25-22(28-19)16-11-14(10-13(2)20(16)26)24-21(27)15-5-3-4-6-17(15)23/h3-11,26H,1-2H3,(H,24,27)
InChIKeyATYXPVOQEPMTKV-UHFFFAOYSA-N
MW376.39 g/mol
LogP5.21
Rot. Bonds3

About 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 135477395) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID135477395
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cc(NC(=O)c4ccccc4F)cc(C)c3O)nc2c1
InChIInChI=1S/C22H17FN2O3/c1-12-7-8-19-18(9-12)25-22(28-19)16-11-14(10-13(2)20(16)26)24-21(27)15-5-3-4-6-17(15)23/h3-11,26H,1-2H3,(H,24,27)
InChIKeyATYXPVOQEPMTKV-UHFFFAOYSA-N
XLogP5.21
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-methoxybenzamide
CID 135645647
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 3118999
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
CID 135416435
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide
CID 135416422
N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethyl)benzamide
CID 69075322
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide
CID 69074322

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 135477395) is 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4F)cc(C)c3O)nc2c1.
What is the InChIKey of 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is ATYXPVOQEPMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-12-7-8-19-18(9-12)25-22(28-19)16-11-14(10-13(2)20(16)26)24-21(27)15-5-3-4-6-17(15)23/h3-11,26H,1-2H3,(H,24,27).
What are the key properties of 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 376.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 135477395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).