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

C17H21N3O — CID 65408791

IUPAC4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nc(C3CCc4ccccc43)no2)CC1
InChIInChI=1S/C17H21N3O/c18-13-8-5-12(6-9-13)17-19-16(20-21-17)15-10-7-11-3-1-2-4-14(11)15/h1-4,12-13,15H,5-10,18H2
InChIKeyJNZKPNYFTQSHJV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds2

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

4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65408791) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65408791
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nc(C3CCc4ccccc43)no2)CC1
InChIInChI=1S/C17H21N3O/c18-13-8-5-12(6-9-13)17-19-16(20-21-17)15-10-7-11-3-1-2-4-14(11)15/h1-4,12-13,15H,5-10,18H2
InChIKeyJNZKPNYFTQSHJV-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424921
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408029
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
CID 97017050
6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65406681
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791105

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65408791) is 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCC(c2nc(C3CCc4ccccc43)no2)CC1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is JNZKPNYFTQSHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-13-8-5-12(6-9-13)17-19-16(20-21-17)15-10-7-11-3-1-2-4-14(11)15/h1-4,12-13,15H,5-10,18H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65408791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).