4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide

C24H23N5O2 — CID 46240150

IUPAC4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC1(C)CCc2c(-c3nc(-c4ccc(C(N)=O)cc4)no3)nn(-c3ccccc3)c2C1
InChIInChI=1S/C24H23N5O2/c1-24(2)13-12-18-19(14-24)29(17-6-4-3-5-7-17)27-20(18)23-26-22(28-31-23)16-10-8-15(9-11-16)21(25)30/h3-11H,12-14H2,1-2H3,(H2,25,30)
InChIKeyLBKDDIICVNYJHG-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.20
Rot. Bonds4

About 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide

4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 46240150) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID46240150
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC1(C)CCc2c(-c3nc(-c4ccc(C(N)=O)cc4)no3)nn(-c3ccccc3)c2C1
InChIInChI=1S/C24H23N5O2/c1-24(2)13-12-18-19(14-24)29(17-6-4-3-5-7-17)27-20(18)23-26-22(28-31-23)16-10-8-15(9-11-16)21(25)30/h3-11H,12-14H2,1-2H3,(H2,25,30)
InChIKeyLBKDDIICVNYJHG-UHFFFAOYSA-N
XLogP4.20
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide (CID 46240150) is 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide is CC1(C)CCc2c(-c3nc(-c4ccc(C(N)=O)cc4)no3)nn(-c3ccccc3)c2C1.
What is the InChIKey of 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is LBKDDIICVNYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-24(2)13-12-18-19(14-24)29(17-6-4-3-5-7-17)27-20(18)23-26-22(28-31-23)16-10-8-15(9-11-16)21(25)30/h3-11H,12-14H2,1-2H3,(H2,25,30).
What are the key properties of 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 46240150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).