N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide

C23H19FN2O2 — CID 167932541

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c1-23(2,16-10-12-17(24)13-11-16)22(27)25-18-7-5-6-15(14-18)21-26-19-8-3-4-9-20(19)28-21/h3-14H,1-2H3,(H,25,27)
InChIKeyUQTZOPNGNXODJZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.55
Rot. Bonds4

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 167932541) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
PubChem CID167932541
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c1-23(2,16-10-12-17(24)13-11-16)22(27)25-18-7-5-6-15(14-18)21-26-19-8-3-4-9-20(19)28-21/h3-14H,1-2H3,(H,25,27)
InChIKeyUQTZOPNGNXODJZ-UHFFFAOYSA-N
XLogP5.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779861

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide (CID 167932541) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is UQTZOPNGNXODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-23(2,16-10-12-17(24)13-11-16)22(27)25-18-7-5-6-15(14-18)21-26-19-8-3-4-9-20(19)28-21/h3-14H,1-2H3,(H,25,27).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 374.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 167932541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).