2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C22H19Cl2N7O2 — CID 72715368

IUPAC2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CC2(CCN(c3nnc(-c4cc(Cl)cc(Cl)c4)o3)CC2)C1
InChIInChI=1S/C22H19Cl2N7O2/c23-15-7-14(8-16(24)10-15)19-27-28-21(33-19)30-5-3-22(4-6-30)11-31(12-22)20(32)13-1-2-17-18(9-13)26-29-25-17/h1-2,7-10H,3-6,11-12H2,(H,25,26,29)
InChIKeyWXEFNHJXTXKSAR-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.06
Rot. Bonds3

About 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 72715368) has the molecular formula C22H19Cl2N7O2 and a molecular weight of 484.35 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID72715368
Molecular FormulaC22H19Cl2N7O2
Molecular Weight484.35 g/mol
Exact Mass483.10
IUPAC Name2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CC2(CCN(c3nnc(-c4cc(Cl)cc(Cl)c4)o3)CC2)C1
InChIInChI=1S/C22H19Cl2N7O2/c23-15-7-14(8-16(24)10-15)19-27-28-21(33-19)30-5-3-22(4-6-30)11-31(12-22)20(32)13-1-2-17-18(9-13)26-29-25-17/h1-2,7-10H,3-6,11-12H2,(H,25,26,29)
InChIKeyWXEFNHJXTXKSAR-UHFFFAOYSA-N
XLogP4.06
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 72715368) is 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CC2(CCN(c3nnc(-c4cc(Cl)cc(Cl)c4)o3)CC2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is WXEFNHJXTXKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N7O2/c23-15-7-14(8-16(24)10-15)19-27-28-21(33-19)30-5-3-22(4-6-30)11-31(12-22)20(32)13-1-2-17-18(9-13)26-29-25-17/h1-2,7-10H,3-6,11-12H2,(H,25,26,29).
What are the key properties of 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 484.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[7-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 72715368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).