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

C16H21N3O — CID 65415327

IUPAC2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C16H21N3O/c1-3-8-16(2,17)15-18-14(19-20-15)13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,3,8-10,17H2,1-2H3
InChIKeyNUOAFNXEDYELMQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds4

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

2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65415327) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65415327
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C16H21N3O/c1-3-8-16(2,17)15-18-14(19-20-15)13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,3,8-10,17H2,1-2H3
InChIKeyNUOAFNXEDYELMQ-UHFFFAOYSA-N
XLogP2.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine with MolForge

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide
CID 53181911
1-{[5-(2,3-Dihydro-1H-inden-1-ylmethyl)-1,2,4-oxadiazol-3-YL]methyl}-4-methylpiperazine
CID 72896925
N~1~-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide
CID 53181926
(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126439663
1-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 43329973
1-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43329981
1-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630149
2-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 43645182
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine
CID 43809134
1-[3-[(2-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 54977652
2-[3-(5-Fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 55067854
2-[3-[(3-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 61219530

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65415327) is 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NUOAFNXEDYELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-16(2,17)15-18-14(19-20-15)13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,3,8-10,17H2,1-2H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65415327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).