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

C24H22N2O5 — CID 24599401

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H22N2O5/c1-28-20-12-15(13-21(29-2)23(20)30-3)14-22(27)25-17-10-8-16(9-11-17)24-26-18-6-4-5-7-19(18)31-24/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyBXPUWNKGNDZHFF-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.70
Rot. Bonds7

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 24599401) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID24599401
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H22N2O5/c1-28-20-12-15(13-21(29-2)23(20)30-3)14-22(27)25-17-10-8-16(9-11-17)24-26-18-6-4-5-7-19(18)31-24/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyBXPUWNKGNDZHFF-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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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 41107745
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774
N-[3-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907982
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 24599401) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is BXPUWNKGNDZHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-28-20-12-15(13-21(29-2)23(20)30-3)14-22(27)25-17-10-8-16(9-11-17)24-26-18-6-4-5-7-19(18)31-24/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-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-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24599401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).