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

C20H21N5O2 — CID 146132381

IUPACN-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCn1cc2c(n1)CCCC2c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1
InChIInChI=1S/C20H21N5O2/c1-25-11-16-15(3-2-4-17(16)23-25)20-22-18(24-27-20)12-5-7-13(8-6-12)19(26)21-14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,21,26)
InChIKeyMGGDJMLAIYDEIX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.83
Rot. Bonds4

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

N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 146132381) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID146132381
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCn1cc2c(n1)CCCC2c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1
InChIInChI=1S/C20H21N5O2/c1-25-11-16-15(3-2-4-17(16)23-25)20-22-18(24-27-20)12-5-7-13(8-6-12)19(26)21-14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,21,26)
InChIKeyMGGDJMLAIYDEIX-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56835800
N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 139412416
US20250059174, Example 6
CID 175682268
US20250059174, Example 9
CID 175682271
US20250059174, Example 55
CID 175682316
US20250059174, Example 56
CID 175682317
US20250059174, Example 61
CID 175682321
US20250059174, Example 69
CID 175682329
US20250059174, Example 91
CID 175682351
US20250059174, Example 148
CID 175682407
US20250059174, Example 149
CID 175682408
US20250059174, Example 171-2
CID 175682594

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide (CID 146132381) is N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide is Cn1cc2c(n1)CCCC2c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1.
What is the InChIKey of N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is MGGDJMLAIYDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-11-16-15(3-2-4-17(16)23-25)20-22-18(24-27-20)12-5-7-13(8-6-12)19(26)21-14-9-10-14/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,21,26).
What are the key properties of N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide?
N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 146132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).