3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

C17H21N3O — CID 114424921

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(C3CCc4ccccc43)no2)C1
InChIInChI=1S/C17H21N3O/c1-11-8-9-18-15(10-11)17-19-16(20-21-17)14-7-6-12-4-2-3-5-13(12)14/h2-5,11,14-15,18H,6-10H2,1H3
InChIKeyNBKORZKEULSJKS-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.21
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114424921) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114424921
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(C3CCc4ccccc43)no2)C1
InChIInChI=1S/C17H21N3O/c1-11-8-9-18-15(10-11)17-19-16(20-21-17)14-7-6-12-4-2-3-5-13(12)14/h2-5,11,14-15,18H,6-10H2,1H3
InChIKeyNBKORZKEULSJKS-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-(2,2-dimethylcyclopropyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107925074
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114424921) is 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCNC(c2nc(C3CCc4ccccc43)no2)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is NBKORZKEULSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-8-9-18-15(10-11)17-19-16(20-21-17)14-7-6-12-4-2-3-5-13(12)14/h2-5,11,14-15,18H,6-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 283.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114424921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).