2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

C18H17N5O2 — CID 53141163

IUPAC2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4n[nH]c5c4CCCC5)n3)ccc2o1
InChIInChI=1S/C18H17N5O2/c1-2-15-19-13-9-10(7-8-14(13)24-15)17-20-18(25-23-17)16-11-5-3-4-6-12(11)21-22-16/h7-9H,2-6H2,1H3,(H,21,22)
InChIKeyCGKXFGUEYWJEMW-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.71
Rot. Bonds3

About 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (PubChem CID 53141163) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
PubChem CID53141163
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4n[nH]c5c4CCCC5)n3)ccc2o1
InChIInChI=1S/C18H17N5O2/c1-2-15-19-13-9-10(7-8-14(13)24-15)17-20-18(25-23-17)16-11-5-3-4-6-12(11)21-22-16/h7-9H,2-6H2,1H3,(H,21,22)
InChIKeyCGKXFGUEYWJEMW-UHFFFAOYSA-N
XLogP3.71
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (CID 53141163) is 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is CCc1nc2cc(-c3noc(-c4n[nH]c5c4CCCC5)n3)ccc2o1.
What is the InChIKey of 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The InChIKey is CGKXFGUEYWJEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-15-19-13-9-10(7-8-14(13)24-15)17-20-18(25-23-17)16-11-5-3-4-6-12(11)21-22-16/h7-9H,2-6H2,1H3,(H,21,22).
What are the key properties of 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole has a molecular weight of 335.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 53141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).