3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole

C17H18N4O2 — CID 42535018

IUPAC3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3n[nH]c4c3C[C@@H](C)CC4)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-10-3-8-14-13(9-10)15(20-19-14)17-18-16(21-23-17)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyFBYYUQFUAXVQFR-JTQLQIEISA-N
MW310.36 g/mol
LogP3.26
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole (PubChem CID 42535018) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole
PubChem CID42535018
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3n[nH]c4c3C[C@@H](C)CC4)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-10-3-8-14-13(9-10)15(20-19-14)17-18-16(21-23-17)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyFBYYUQFUAXVQFR-JTQLQIEISA-N
XLogP3.26
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole (CID 42535018) is 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3n[nH]c4c3C[C@@H](C)CC4)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is FBYYUQFUAXVQFR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-3-8-14-13(9-10)15(20-19-14)17-18-16(21-23-17)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 42535018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).