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

C22H18N2O4 — CID 17092656

IUPACN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1
InChIInChI=1S/C22H18N2O4/c1-26-18-9-5-6-15(12-18)22-24-19-13-16(10-11-20(19)28-22)23-21(25)14-27-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyPGUHCAVEFGNANX-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.52
Rot. Bonds6

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

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide (PubChem CID 17092656) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
PubChem CID17092656
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1
InChIInChI=1S/C22H18N2O4/c1-26-18-9-5-6-15(12-18)22-24-19-13-16(10-11-20(19)28-22)23-21(25)14-27-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyPGUHCAVEFGNANX-UHFFFAOYSA-N
XLogP4.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092663
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide
CID 1344727

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide (CID 17092656) is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide is COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
The InChIKey is PGUHCAVEFGNANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-18-9-5-6-15(12-18)22-24-19-13-16(10-11-20(19)28-22)23-21(25)14-27-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide?
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide has a molecular weight of 374.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 17092656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).