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

C17H23N3O — CID 65403344

IUPAC3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C17H23N3O/c1-4-18-12(3)11(2)17-19-16(20-21-17)15-9-13-7-5-6-8-14(13)10-15/h5-8,11-12,15,18H,4,9-10H2,1-3H3
InChIKeySEXKWWSRMYKBMV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds5

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

3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine (PubChem CID 65403344) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
PubChem CID65403344
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C17H23N3O/c1-4-18-12(3)11(2)17-19-16(20-21-17)15-9-13-7-5-6-8-14(13)10-15/h5-8,11-12,15,18H,4,9-10H2,1-3H3
InChIKeySEXKWWSRMYKBMV-UHFFFAOYSA-N
XLogP3.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65404515
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881220
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63352336
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
(1R)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565401
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine (CID 65403344) is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine is CCNC(C)C(C)c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
The InChIKey is SEXKWWSRMYKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-18-12(3)11(2)17-19-16(20-21-17)15-9-13-7-5-6-8-14(13)10-15/h5-8,11-12,15,18H,4,9-10H2,1-3H3.
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine?
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 5 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-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine is sourced from PubChem (CID 65403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).