N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

C22H15FN2O3 — CID 46350554

IUPACN-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1
InChIInChI=1S/C22H15FN2O3/c1-13(26)15-3-2-4-18(11-15)24-22(27)16-7-10-20-19(12-16)21(28-25-20)14-5-8-17(23)9-6-14/h2-12H,1H3,(H,24,27)
InChIKeyVSADVJUWWTTZLV-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.09
Rot. Bonds4

About N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 46350554) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
PubChem CID46350554
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC NameN-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1
InChIInChI=1S/C22H15FN2O3/c1-13(26)15-3-2-4-18(11-15)24-22(27)16-7-10-20-19(12-16)21(28-25-20)14-5-8-17(23)9-6-14/h2-12H,1H3,(H,24,27)
InChIKeyVSADVJUWWTTZLV-UHFFFAOYSA-N
XLogP5.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
CID 146154705
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 46350545
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyltriazole-4-carboxamide
CID 17014803
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
CID 154806744
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide (CID 46350554) is N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is VSADVJUWWTTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c1-13(26)15-3-2-4-18(11-15)24-22(27)16-7-10-20-19(12-16)21(28-25-20)14-5-8-17(23)9-6-14/h2-12H,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 46350554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).