N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide

C23H20N2O5 — CID 17128537

IUPACN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1OC
InChIInChI=1S/C23H20N2O5/c1-27-20-10-8-15(12-21(20)28-2)23-25-18-13-16(9-11-19(18)30-23)24-22(26)14-29-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyJYDHFAKYINUESZ-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.53
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide

N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide (PubChem CID 17128537) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
PubChem CID17128537
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1OC
InChIInChI=1S/C23H20N2O5/c1-27-20-10-8-15(12-21(20)28-2)23-25-18-13-16(9-11-19(18)30-23)24-22(26)14-29-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyJYDHFAKYINUESZ-UHFFFAOYSA-N
XLogP4.53
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 51447573
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide
CID 5259184
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide (CID 17128537) is N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide is COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The InChIKey is JYDHFAKYINUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-27-20-10-8-15(12-21(20)28-2)23-25-18-13-16(9-11-19(18)30-23)24-22(26)14-29-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide has a molecular weight of 404.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 17128537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).