2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

C16H19N3O2 — CID 167805977

IUPAC2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCC1(c2nc(-c3ccc4c(c3)CCC4)no2)CNCCO1
InChIInChI=1S/C16H19N3O2/c1-16(10-17-7-8-20-16)15-18-14(19-21-15)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNTZSAEHTLOUDPR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.06
Rot. Bonds2

About 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (PubChem CID 167805977) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
PubChem CID167805977
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCC1(c2nc(-c3ccc4c(c3)CCC4)no2)CNCCO1
InChIInChI=1S/C16H19N3O2/c1-16(10-17-7-8-20-16)15-18-14(19-21-15)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNTZSAEHTLOUDPR-UHFFFAOYSA-N
XLogP2.06
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (CID 167805977) is 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is CC1(c2nc(-c3ccc4c(c3)CCC4)no2)CNCCO1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The InChIKey is NTZSAEHTLOUDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(10-17-7-8-20-16)15-18-14(19-21-15)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine has a molecular weight of 285.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is sourced from PubChem (CID 167805977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).