N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C24H23N5O2 — CID 46402081

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)cc2)n1
InChIInChI=1S/C24H23N5O2/c1-16-26-24(31-28-16)19-12-10-18(11-13-19)23(30)27-21-8-5-9-22-20(21)14-25-29(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15H2,1H3,(H,27,30)
InChIKeyXMERJMAAGCHSRB-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.10
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 46402081) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID46402081
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)cc2)n1
InChIInChI=1S/C24H23N5O2/c1-16-26-24(31-28-16)19-12-10-18(11-13-19)23(30)27-21-8-5-9-22-20(21)14-25-29(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15H2,1H3,(H,27,30)
InChIKeyXMERJMAAGCHSRB-UHFFFAOYSA-N
XLogP4.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
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N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
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N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
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CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
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CID 55622490
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CID 110236796
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 46402081) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)cc2)n1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is XMERJMAAGCHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-26-24(31-28-16)19-12-10-18(11-13-19)23(30)27-21-8-5-9-22-20(21)14-25-29(22)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,21H,5,8-9,15H2,1H3,(H,27,30).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 46402081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).