2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

C18H21N5O3S — CID 126774260

IUPAC2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)o1
InChIInChI=1S/C18H21N5O3S/c1-4-16-19-20-17(26-16)11-22-13(3)18(12(2)21-22)27(24,25)23-10-9-14-7-5-6-8-15(14)23/h5-8H,4,9-11H2,1-3H3
InChIKeyMKMYXDASLGRXSH-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.25
Rot. Bonds5

About 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 126774260) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID126774260
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)o1
InChIInChI=1S/C18H21N5O3S/c1-4-16-19-20-17(26-16)11-22-13(3)18(12(2)21-22)27(24,25)23-10-9-14-7-5-6-8-15(14)23/h5-8H,4,9-11H2,1-3H3
InChIKeyMKMYXDASLGRXSH-UHFFFAOYSA-N
XLogP2.25
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole
CID 9381782
4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 17394468
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17394458
(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95250146
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 71997545
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51483463
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 5298304
2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
CID 53127304
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (CID 126774260) is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)o1.
What is the InChIKey of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is MKMYXDASLGRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-4-16-19-20-17(26-16)11-22-13(3)18(12(2)21-22)27(24,25)23-10-9-14-7-5-6-8-15(14)23/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 387.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 126774260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).