N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

C22H17FN2O2 — CID 53089407

IUPACN-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C22H17FN2O2/c23-17-7-4-8-18(14-17)24-22(26)16-10-11-19-20(13-16)27-21(25-19)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)
InChIKeyRHDOPVCGBATFTN-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.00
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53089407) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53089407
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC NameN-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C22H17FN2O2/c23-17-7-4-8-18(14-17)24-22(26)16-10-11-19-20(13-16)27-21(25-19)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)
InChIKeyRHDOPVCGBATFTN-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089402
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
2-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089659
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099097
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 53089407) is N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2nc(CCc3ccccc3)oc2c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is RHDOPVCGBATFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-17-7-4-8-18(14-17)24-22(26)16-10-11-19-20(13-16)27-21(25-19)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26).
What are the key properties of N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).