5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C14H17N3O2 — CID 132970569

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N3O2/c1-17(2)14-15-13(19-16-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyXVAVHTGTSCRTJG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.20
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 132970569) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID132970569
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N3O2/c1-17(2)14-15-13(19-16-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyXVAVHTGTSCRTJG-UHFFFAOYSA-N
XLogP2.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055512
N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine
CID 124625019
N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine
CID 166380342
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7580840
1-[6-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-pyridinyl]-N-methylmethanamine
CID 106908170
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran
CID 141271180
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 39401349
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
CID 91088145
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridine
CID 79241095

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 132970569) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(COc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is XVAVHTGTSCRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(2)14-15-13(19-16-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 259.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 132970569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).