7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C23H22N2O5 — CID 24800600

IUPAC7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C23H22N2O5/c1-26-18-11-6-5-8-15(18)16-9-7-10-17-21(16)30-23(25-17)24-14-12-19(27-2)22(29-4)20(13-14)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyXRTXYXCNVWUOKB-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.27
Rot. Bonds7

About 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24800600) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID24800600
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C23H22N2O5/c1-26-18-11-6-5-8-15(18)16-9-7-10-17-21(16)30-23(25-17)24-14-12-19(27-2)22(29-4)20(13-14)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyXRTXYXCNVWUOKB-UHFFFAOYSA-N
XLogP5.27
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 24800600) is 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12.
What is the InChIKey of 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is XRTXYXCNVWUOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-26-18-11-6-5-8-15(18)16-9-7-10-17-21(16)30-23(25-17)24-14-12-19(27-2)22(29-4)20(13-14)28-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 406.44 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24800600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).