5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole

C19H23N5O — CID 46238835

IUPAC5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCn1nc(-c2nc(-c3cnccc3C)no2)c2c1CC(C)(C)CC2
InChIInChI=1S/C19H23N5O/c1-5-24-15-10-19(3,4)8-6-13(15)16(22-24)18-21-17(23-25-18)14-11-20-9-7-12(14)2/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyGZLPNPGBUFYUMG-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.84
Rot. Bonds3

About 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 46238835) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID46238835
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCn1nc(-c2nc(-c3cnccc3C)no2)c2c1CC(C)(C)CC2
InChIInChI=1S/C19H23N5O/c1-5-24-15-10-19(3,4)8-6-13(15)16(22-24)18-21-17(23-25-18)14-11-20-9-7-12(14)2/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyGZLPNPGBUFYUMG-UHFFFAOYSA-N
XLogP3.84
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 46238835) is 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole is CCn1nc(-c2nc(-c3cnccc3C)no2)c2c1CC(C)(C)CC2.
What is the InChIKey of 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GZLPNPGBUFYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-24-15-10-19(3,4)8-6-13(15)16(22-24)18-21-17(23-25-18)14-11-20-9-7-12(14)2/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).