3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

C25H22N2O5 — CID 46392754

IUPAC3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-21-13-18(14-22(30-2)23(21)31-3)24(28)26-19-11-9-17(10-12-19)25-27-20(15-32-25)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,26,28)
InChIKeyRSFHBWGIEDMXKD-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.29
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 46392754) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID46392754
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-21-13-18(14-22(30-2)23(21)31-3)24(28)26-19-11-9-17(10-12-19)25-27-20(15-32-25)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,26,28)
InChIKeyRSFHBWGIEDMXKD-UHFFFAOYSA-N
XLogP5.29
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
3,4,5-trimethoxy-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45012563
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (CID 46392754) is 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is RSFHBWGIEDMXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-29-21-13-18(14-22(30-2)23(21)31-3)24(28)26-19-11-9-17(10-12-19)25-27-20(15-32-25)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 46392754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).