N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C22H17N3O3 — CID 7465275

IUPACN-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C22H17N3O3/c1-14(26)23-17-8-10-18(11-9-17)24-22(27)16-7-12-20-19(13-16)21(28-25-20)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyXTVLKKGWDRIZBB-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.71
Rot. Bonds4

About N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 7465275) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID7465275
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C22H17N3O3/c1-14(26)23-17-8-10-18(11-9-17)24-22(27)16-7-12-20-19(13-16)21(28-25-20)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyXTVLKKGWDRIZBB-UHFFFAOYSA-N
XLogP4.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9268843
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41274144
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 7465275) is N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is XTVLKKGWDRIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14(26)23-17-8-10-18(11-9-17)24-22(27)16-7-12-20-19(13-16)21(28-25-20)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 7465275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).