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

C14H17N3O — CID 65415723

IUPAC1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-9(15-2)14-16-13(17-18-14)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyBBLFLLSRQKOMQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds3

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

1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 65415723) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID65415723
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-9(15-2)14-16-13(17-18-14)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyBBLFLLSRQKOMQO-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65403344
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881220
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65415533
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65405863
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65404119
(1R)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904201
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
CID 65405431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 65415723) is 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNC(C)c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is BBLFLLSRQKOMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(15-2)14-16-13(17-18-14)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 65415723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).