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

C21H15FN2O2 — CID 696909

IUPAC4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1
InChIInChI=1S/C21H15FN2O2/c1-13-5-10-19-18(11-13)24-21(26-19)15-3-2-4-17(12-15)23-20(25)14-6-8-16(22)9-7-14/h2-12H,1H3,(H,23,25)
InChIKeyWEJIGCOVTGULFD-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.19
Rot. Bonds3

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

4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 696909) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID696909
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1
InChIInChI=1S/C21H15FN2O2/c1-13-5-10-19-18(11-13)24-21(26-19)15-3-2-4-17(12-15)23-20(25)14-6-8-16(22)9-7-14/h2-12H,1H3,(H,23,25)
InChIKeyWEJIGCOVTGULFD-UHFFFAOYSA-N
XLogP5.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 87680363
4-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1098849
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
4-heptoxy-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3126596
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 881581
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
2,6-dimethoxy-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 1259106

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 696909) is 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1.
What is the InChIKey of 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is WEJIGCOVTGULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-13-5-10-19-18(11-13)24-21(26-19)15-3-2-4-17(12-15)23-20(25)14-6-8-16(22)9-7-14/h2-12H,1H3,(H,23,25).
What are the key properties of 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 696909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).