1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide

C27H25N5O3 — CID 166929669

IUPAC1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(N)=O)C4)c4ccccc34)no2)cc1C#N
InChIInChI=1S/C27H25N5O3/c1-16(2)34-24-10-8-17(11-19(24)12-28)27-30-26(31-35-27)23-9-7-18(21-5-3-4-6-22(21)23)13-32-14-20(15-32)25(29)33/h3-11,16,20H,13-15H2,1-2H3,(H2,29,33)
InChIKeyALAGZZMDGCGSGA-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.13
Rot. Bonds7

About 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide

1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide (PubChem CID 166929669) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide
PubChem CID166929669
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(N)=O)C4)c4ccccc34)no2)cc1C#N
InChIInChI=1S/C27H25N5O3/c1-16(2)34-24-10-8-17(11-19(24)12-28)27-30-26(31-35-27)23-9-7-18(21-5-3-4-6-22(21)23)13-32-14-20(15-32)25(29)33/h3-11,16,20H,13-15H2,1-2H3,(H2,29,33)
InChIKeyALAGZZMDGCGSGA-UHFFFAOYSA-N
XLogP4.13
TPSA118.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide with MolForge

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Related Compounds

5-[3-(2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-pyrrolidin-1-ylacetamide
CID 144841117
1-[[4-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
CID 162427300
ethyl 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-7-yl]propanoate
CID 67286725
5-[3-(2,3-diethylphenyl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 144841043
2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid;hydrochloride
CID 68500104
1-[[4-[5-(4-cyanofuran-2-yl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
CID 166929687
5-[3-(3-bromo-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 67290606
ethyl 3-[3-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]propanoate
CID 67289199
5-[3-(1-oxo-2,3-dihydroinden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 142470713
[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate
CID 142470674
5-[3-[1-[3-(1-hydroxyethenyl)azetidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344742
[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-methylbenzoate
CID 142470717

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide (CID 166929669) is 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide is CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(N)=O)C4)c4ccccc34)no2)cc1C#N.
What is the InChIKey of 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide?
The InChIKey is ALAGZZMDGCGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-16(2)34-24-10-8-17(11-19(24)12-28)27-30-26(31-35-27)23-9-7-18(21-5-3-4-6-22(21)23)13-32-14-20(15-32)25(29)33/h3-11,16,20H,13-15H2,1-2H3,(H2,29,33).
What are the key properties of 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide?
1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 166929669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).