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

C26H20N2O4 — CID 1496876

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H20N2O4/c1-30-23-14-13-18(26-28-20-10-4-5-11-24(20)32-26)15-21(23)27-25(29)16-31-22-12-6-8-17-7-2-3-9-19(17)22/h2-15H,16H2,1H3,(H,27,29)
InChIKeyJVHALBXBGZOWRJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.67
Rot. Bonds6

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

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 1496876) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
PubChem CID1496876
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H20N2O4/c1-30-23-14-13-18(26-28-20-10-4-5-11-24(20)32-26)15-21(23)27-25(29)16-31-22-12-6-8-17-7-2-3-9-19(17)22/h2-15H,16H2,1H3,(H,27,29)
InChIKeyJVHALBXBGZOWRJ-UHFFFAOYSA-N
XLogP5.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 18524792
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
CID 168787277
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide (CID 1496876) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc2ccccc12.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is JVHALBXBGZOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-30-23-14-13-18(26-28-20-10-4-5-11-24(20)32-26)15-21(23)27-25(29)16-31-22-12-6-8-17-7-2-3-9-19(17)22/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 424.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 1496876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).