N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C24H22N2O5 — CID 141488087

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(OC)c1OC
InChIInChI=1S/C24H22N2O5/c1-28-20-11-15(12-21(29-2)23(20)30-3)13-22(27)25-17-9-10-19-18(14-17)26-24(31-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,27)
InChIKeyGKTWCSNAWGADPC-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.70
Rot. Bonds7

About N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 141488087) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID141488087
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(OC)c1OC
InChIInChI=1S/C24H22N2O5/c1-28-20-11-15(12-21(29-2)23(20)30-3)13-22(27)25-17-9-10-19-18(14-17)26-24(31-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,27)
InChIKeyGKTWCSNAWGADPC-UHFFFAOYSA-N
XLogP4.70
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 141488087) is N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(OC)c1OC.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GKTWCSNAWGADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-28-20-11-15(12-21(29-2)23(20)30-3)13-22(27)25-17-9-10-19-18(14-17)26-24(31-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,27).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 141488087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).