1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid

C25H20N4O3 — CID 162427300

IUPAC1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)c3ccccc23)C1
InChIInChI=1S/C25H20N4O3/c30-25(31)18-13-29(14-18)12-17-5-7-21(20-4-2-1-3-19(17)20)23-27-24(32-28-23)16-6-8-22-15(11-16)9-10-26-22/h1-11,18,26H,12-14H2,(H,30,31)
InChIKeyBLOXJIPSRZEIHZ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.55
Rot. Bonds5

About 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid

1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 162427300) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
PubChem CID162427300
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)c3ccccc23)C1
InChIInChI=1S/C25H20N4O3/c30-25(31)18-13-29(14-18)12-17-5-7-21(20-4-2-1-3-19(17)20)23-27-24(32-28-23)16-6-8-22-15(11-16)9-10-26-22/h1-11,18,26H,12-14H2,(H,30,31)
InChIKeyBLOXJIPSRZEIHZ-UHFFFAOYSA-N
XLogP4.55
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[5-(4-cyanofuran-2-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
CID 166929687
1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide
CID 166929669
1-[[4-[5-(4-benzylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 11977819
1-[[4-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 57396699
1-[[5-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 11978281
5-(4-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162643919
1-[[4-[5-[4-(difluoromethyl)-3-phenyl-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 46846907
1-[[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 46846820
[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate
CID 68523934
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
1-[[4-[5-[4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 46846904
3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 162651749

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid (CID 162427300) is 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)c3ccccc23)C1.
What is the InChIKey of 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is BLOXJIPSRZEIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-25(31)18-13-29(14-18)12-17-5-7-21(20-4-2-1-3-19(17)20)23-27-24(32-28-23)16-6-8-22-15(11-16)9-10-26-22/h1-11,18,26H,12-14H2,(H,30,31).
What are the key properties of 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid?
1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 162427300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).