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

C21H16N2O2 — CID 7465233

IUPACN-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C21H16N2O2/c1-14-6-5-9-17(12-14)22-21(24)16-10-11-19-18(13-16)20(25-23-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24)
InChIKeyXGUMTLYZQVQOHU-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.06
Rot. Bonds3

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

N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 7465233) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID7465233
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C21H16N2O2/c1-14-6-5-9-17(12-14)22-21(24)16-10-11-19-18(13-16)20(25-23-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24)
InChIKeyXGUMTLYZQVQOHU-UHFFFAOYSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
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-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
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-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 7465233) is N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is Cc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is XGUMTLYZQVQOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-5-9-17(12-14)22-21(24)16-10-11-19-18(13-16)20(25-23-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24).
What are the key properties of N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 7465233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).