3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide

C23H20N2O5 — CID 46354151

IUPAC3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(-c4ccccc4)onc3c2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O5/c1-27-19-12-16(13-20(28-2)22(19)29-3)24-23(26)15-9-10-17-18(11-15)25-30-21(17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,26)
InChIKeyOKWYSCQCEQZQBG-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.77
Rot. Bonds6

About 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide

3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide (PubChem CID 46354151) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide
PubChem CID46354151
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(-c4ccccc4)onc3c2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O5/c1-27-19-12-16(13-20(28-2)22(19)29-3)24-23(26)15-9-10-17-18(11-15)25-30-21(17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,26)
InChIKeyOKWYSCQCEQZQBG-UHFFFAOYSA-N
XLogP4.77
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide?
The IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide (CID 46354151) is 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide.
What is the SMILES notation for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide?
The canonical SMILES for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide is COc1cc(NC(=O)c2ccc3c(-c4ccccc4)onc3c2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide?
The InChIKey is OKWYSCQCEQZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-27-19-12-16(13-20(28-2)22(19)29-3)24-23(26)15-9-10-17-18(11-15)25-30-21(17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,26).
What are the key properties of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide?
3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide is sourced from PubChem (CID 46354151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).