N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide

C29H20N2O3 — CID 3581588

IUPACN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc2ccc3ccccc3c2o1
InChIInChI=1S/C29H20N2O3/c32-27(18-33-22-15-13-19-7-1-2-9-21(19)17-22)30-25-12-6-5-11-24(25)29-31-26-16-14-20-8-3-4-10-23(20)28(26)34-29/h1-17H,18H2,(H,30,32)
InChIKeyFQFPCJBKGMXWLU-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.82
Rot. Bonds5

About N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide

N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 3581588) has the molecular formula C29H20N2O3 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
PubChem CID3581588
Molecular FormulaC29H20N2O3
Molecular Weight444.49 g/mol
Exact Mass444.15
IUPAC NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc2ccc3ccccc3c2o1
InChIInChI=1S/C29H20N2O3/c32-27(18-33-22-15-13-19-7-1-2-9-21(19)17-22)30-25-12-6-5-11-24(25)29-31-26-16-14-20-8-3-4-10-23(20)28(26)34-29/h1-17H,18H2,(H,30,32)
InChIKeyFQFPCJBKGMXWLU-UHFFFAOYSA-N
XLogP6.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
CID 4162478
2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331909
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1496969
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4132611
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-bromophenyl)-2-quinolin-6-yloxyacetamide
CID 112978725
N-(3-chloro-2-fluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 26309229
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 3581240

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide (CID 3581588) is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc2ccc3ccccc3c2o1.
What is the InChIKey of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is FQFPCJBKGMXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O3/c32-27(18-33-22-15-13-19-7-1-2-9-21(19)17-22)30-25-12-6-5-11-24(25)29-31-26-16-14-20-8-3-4-10-23(20)28(26)34-29/h1-17H,18H2,(H,30,32).
What are the key properties of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide?
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 444.49 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3581588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).