3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole

C15H20N4O2 — CID 97455043

IUPAC3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESC1CCc2c(CCc3nc([C@H]4CCOC4)no3)n[nH]c2C1
InChIInChI=1S/C15H20N4O2/c1-2-4-12-11(3-1)13(18-17-12)5-6-14-16-15(19-21-14)10-7-8-20-9-10/h10H,1-9H2,(H,17,18)/t10-/m0/s1
InChIKeyLLZCWGUHMSZEQP-JTQLQIEISA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds4

About 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 97455043) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
PubChem CID97455043
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESC1CCc2c(CCc3nc([C@H]4CCOC4)no3)n[nH]c2C1
InChIInChI=1S/C15H20N4O2/c1-2-4-12-11(3-1)13(18-17-12)5-6-14-16-15(19-21-14)10-7-8-20-9-10/h10H,1-9H2,(H,17,18)/t10-/m0/s1
InChIKeyLLZCWGUHMSZEQP-JTQLQIEISA-N
XLogP1.96
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 97434115
3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 39804568
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72896419

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole (CID 97455043) is 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole is C1CCc2c(CCc3nc([C@H]4CCOC4)no3)n[nH]c2C1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is LLZCWGUHMSZEQP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-4-12-11(3-1)13(18-17-12)5-6-14-16-15(19-21-14)10-7-8-20-9-10/h10H,1-9H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97455043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).