5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C18H22N2O3 — CID 97437812

IUPAC5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(Oc1ccc2c(c1)CCC2)c1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C18H22N2O3/c1-18(2,17-19-16(20-23-17)14-8-9-21-11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyGIBRHKQRJJBKIL-CQSZACIVSA-N
MW314.38 g/mol
LogP3.38
Rot. Bonds4

About 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97437812) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97437812
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(Oc1ccc2c(c1)CCC2)c1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C18H22N2O3/c1-18(2,17-19-16(20-23-17)14-8-9-21-11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyGIBRHKQRJJBKIL-CQSZACIVSA-N
XLogP3.38
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97437812) is 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is CC(C)(Oc1ccc2c(c1)CCC2)c1nc([C@@H]2CCOC2)no1.
What is the InChIKey of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is GIBRHKQRJJBKIL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,17-19-16(20-23-17)14-8-9-21-11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 314.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97437812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).