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

C14H17N3O — CID 65408029

IUPAC3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCc3ccccc32)no1
InChIInChI=1S/C14H17N3O/c15-9-3-6-13-16-14(17-18-13)12-8-7-10-4-1-2-5-11(10)12/h1-2,4-5,12H,3,6-9,15H2
InChIKeyVVIIIEZRLMCXOB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.04
Rot. Bonds4

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

3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 65408029) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID65408029
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCc3ccccc32)no1
InChIInChI=1S/C14H17N3O/c15-9-3-6-13-16-14(17-18-13)12-8-7-10-4-1-2-5-11(10)12/h1-2,4-5,12H,3,6-9,15H2
InChIKeyVVIIIEZRLMCXOB-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65406681
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191189
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 64981935
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65284756
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65405086
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685855
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109279
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350351

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 65408029) is 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(C2CCc3ccccc32)no1.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is VVIIIEZRLMCXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-3-6-13-16-14(17-18-13)12-8-7-10-4-1-2-5-11(10)12/h1-2,4-5,12H,3,6-9,15H2.
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 65408029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).