2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid

C24H24N4O4 — CID 67198246

IUPAC2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NCC(=O)O)no2)cc1C#N
InChIInChI=1S/C24H24N4O4/c1-14(2)31-21-10-9-15(11-16(21)12-25)24-27-23(28-32-24)19-7-3-6-18-17(19)5-4-8-20(18)26-13-22(29)30/h3,6-7,9-11,14,20,26H,4-5,8,13H2,1-2H3,(H,29,30)
InChIKeyBDBWZMJLGMRPJF-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.11
Rot. Bonds7

About 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid

2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid (PubChem CID 67198246) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
PubChem CID67198246
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NCC(=O)O)no2)cc1C#N
InChIInChI=1S/C24H24N4O4/c1-14(2)31-21-10-9-15(11-16(21)12-25)24-27-23(28-32-24)19-7-3-6-18-17(19)5-4-8-20(18)26-13-22(29)30/h3,6-7,9-11,14,20,26H,4-5,8,13H2,1-2H3,(H,29,30)
InChIKeyBDBWZMJLGMRPJF-UHFFFAOYSA-N
XLogP4.11
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid?
The IUPAC name of 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid (CID 67198246) is 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NCC(=O)O)no2)cc1C#N.
What is the InChIKey of 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid?
The InChIKey is BDBWZMJLGMRPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14(2)31-21-10-9-15(11-16(21)12-25)24-27-23(28-32-24)19-7-3-6-18-17(19)5-4-8-20(18)26-13-22(29)30/h3,6-7,9-11,14,20,26H,4-5,8,13H2,1-2H3,(H,29,30).
What are the key properties of 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid?
2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid has a molecular weight of 432.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid is sourced from PubChem (CID 67198246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).