methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate

C31H24N2O4 — CID 86603519

IUPACmethyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1
InChIInChI=1S/C31H24N2O4/c1-35-30(34)20-36-25-14-13-22-15-24(12-11-23(22)16-25)29-17-32-31(37-29)27-19-33(18-21-7-3-2-4-8-21)28-10-6-5-9-26(27)28/h2-17,19H,18,20H2,1H3
InChIKeyCRYDYTCXBQMTPT-UHFFFAOYSA-N
MW488.54 g/mol
LogP6.72
Rot. Bonds7

About methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate

methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate (PubChem CID 86603519) has the molecular formula C31H24N2O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate
PubChem CID86603519
Molecular FormulaC31H24N2O4
Molecular Weight488.54 g/mol
Exact Mass488.17
IUPAC Namemethyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1
InChIInChI=1S/C31H24N2O4/c1-35-30(34)20-36-25-14-13-22-15-24(12-11-23(22)16-25)29-17-32-31(37-29)27-19-33(18-21-7-3-2-4-8-21)28-10-6-5-9-26(27)28/h2-17,19H,18,20H2,1H3
InChIKeyCRYDYTCXBQMTPT-UHFFFAOYSA-N
XLogP6.72
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid
CID 11634262
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112
1-benzyl-3-(6-methylsulfanyl-3-pyridinyl)indole
CID 70702189
2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 70677889
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate
CID 139927419
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356
5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958516
methyl 1-benzyl-5-(1-benzylindol-3-yl)pyrazole-3-carboxylate
CID 141254418
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661
methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 10301233

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate (CID 86603519) is methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate is COC(=O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1.
What is the InChIKey of methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate?
The InChIKey is CRYDYTCXBQMTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4/c1-35-30(34)20-36-25-14-13-22-15-24(12-11-23(22)16-25)29-17-32-31(37-29)27-19-33(18-21-7-3-2-4-8-21)28-10-6-5-9-26(27)28/h2-17,19H,18,20H2,1H3.
What are the key properties of methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate?
methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate has a molecular weight of 488.54 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 86603519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).