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

C17H23N3O — CID 134039099

IUPACN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCCc1noc(CN(C)C2CCc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-3-4-9-16-18-17(21-19-16)12-20(2)15-11-10-13-7-5-6-8-14(13)15/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyVUDUTFIOMGPOFR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.53
Rot. Bonds6

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

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 134039099) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID134039099
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCCc1noc(CN(C)C2CCc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-3-4-9-16-18-17(21-19-16)12-20(2)15-11-10-13-7-5-6-8-14(13)15/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyVUDUTFIOMGPOFR-UHFFFAOYSA-N
XLogP3.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 134039099) is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CCCCc1noc(CN(C)C2CCc3ccccc32)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VUDUTFIOMGPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-4-9-16-18-17(21-19-16)12-20(2)15-11-10-13-7-5-6-8-14(13)15/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134039099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).