2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C29H23N3O4 — CID 11271505

IUPAC2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc23)o1
InChIInChI=1S/C29H23N3O4/c33-28-30-29(34)36-32(28)18-24-17-31(16-20-6-2-1-3-7-20)27-13-12-25(15-26(24)27)35-19-21-10-11-22-8-4-5-9-23(22)14-21/h1-15,17H,16,18-19H2,(H,30,33,34)
InChIKeyAYLSSHGFNKAKIH-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.91
Rot. Bonds7

About 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 11271505) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID11271505
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc23)o1
InChIInChI=1S/C29H23N3O4/c33-28-30-29(34)36-32(28)18-24-17-31(16-20-6-2-1-3-7-20)27-13-12-25(15-26(24)27)35-19-21-10-11-22-8-4-5-9-23(22)14-21/h1-15,17H,16,18-19H2,(H,30,33,34)
InChIKeyAYLSSHGFNKAKIH-UHFFFAOYSA-N
XLogP4.91
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione with MolForge

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
CID 174442513
2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 86583593
2-benzyl-1,2,4-oxadiazolidine-3,5-dione
CID 15307818
2-[1-benzyl-5-[3-[3-[(4-fluorophenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183561
2-[1-benzyl-5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183538
2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
CID 10346756
4-[[3-(2-aminoethyl)-5-[(3-methoxyphenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053001
2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 19038544
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
2-[[4-[(E)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 18543975
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
2-[1-benzyl-5-[3-(3-phenoxyphenoxy)propoxy]indol-3-yl]acetic acid
CID 122183553

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 11271505) is 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc23)o1.
What is the InChIKey of 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is AYLSSHGFNKAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c33-28-30-29(34)36-32(28)18-24-17-31(16-20-6-2-1-3-7-20)27-13-12-25(15-26(24)27)35-19-21-10-11-22-8-4-5-9-23(22)14-21/h1-15,17H,16,18-19H2,(H,30,33,34).
What are the key properties of 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 477.52 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 11271505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).