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

C23H22N2O5 — CID 24800602

IUPAC7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4cc(OC)c(OC)c(OC)c4)oc23)cc1
InChIInChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyXYSGFDULUQQBMY-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.27
Rot. Bonds7

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

7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24800602) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID24800602
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4cc(OC)c(OC)c(OC)c4)oc23)cc1
InChIInChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
InChIKeyXYSGFDULUQQBMY-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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Related Compounds

7-(1h-Benzimidazol-7-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771106
7-(2-Fluoro-6-Methoxyphenyl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771105
7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800423
7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800600
7-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800604
7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800776
N-(4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 24801129
7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24801650
N-(3-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 46880686
Morpholino(4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanone
CID 46880687
7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 46880738
7-(2-fluoro-6-methoxyphenyl)-N-[4-methoxy-3-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3-benzoxazol-2-amine
CID 90645197

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 24800602) is 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1ccc(-c2cccc3nc(Nc4cc(OC)c(OC)c(OC)c4)oc23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is XYSGFDULUQQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-(4-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-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24800602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).