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

C13H14BrN3O — CID 103910649

IUPAC4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(CNC2CCc3c(Br)cccc32)n1
InChIInChI=1S/C13H14BrN3O/c1-8-16-13(18-17-8)7-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-7H2,1H3
InChIKeyVHUGDTZUHPRPKE-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.92
Rot. Bonds3

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

4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103910649) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103910649
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(CNC2CCc3c(Br)cccc32)n1
InChIInChI=1S/C13H14BrN3O/c1-8-16-13(18-17-8)7-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-7H2,1H3
InChIKeyVHUGDTZUHPRPKE-UHFFFAOYSA-N
XLogP2.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113261141
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 61015244
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
5-[[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrimidine-2,4-diamine
CID 155953932
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2,3-dihydro-1H-inden-1-amine
CID 103648457
[(5R)-1-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] 3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 124880532
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 103910649) is 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1noc(CNC2CCc3c(Br)cccc32)n1.
What is the InChIKey of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VHUGDTZUHPRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-16-13(18-17-8)7-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-7H2,1H3.
What are the key properties of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 308.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103910649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).