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

C13H15N3O — CID 107911419

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CNC2CCc3ccccc32)no1
InChIInChI=1S/C13H15N3O/c1-9-15-13(16-17-9)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12,14H,6-8H2,1H3
InChIKeyCQYFGBBMPVVVMX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107911419) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID107911419
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CNC2CCc3ccccc32)no1
InChIInChI=1S/C13H15N3O/c1-9-15-13(16-17-9)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12,14H,6-8H2,1H3
InChIKeyCQYFGBBMPVVVMX-UHFFFAOYSA-N
XLogP2.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103931619
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 106413319
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 106391848
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43644936
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181885
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62404768

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 107911419) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(CNC2CCc3ccccc32)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CQYFGBBMPVVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-15-13(16-17-9)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12,14H,6-8H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 229.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107911419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).