4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C13H13BrN2O — CID 114185903

IUPAC4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCc1ccno1
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-16-17-9/h1-3,6-7,13,15H,4-5,8H2
InChIKeyJZBFWKSXZKXROK-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.21
Rot. Bonds3

About 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114185903) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114185903
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCc1ccno1
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-16-17-9/h1-3,6-7,13,15H,4-5,8H2
InChIKeyJZBFWKSXZKXROK-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103910649
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106415747
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2,3-dihydro-1H-inden-1-amine
CID 103648457
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
5-[[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrimidine-2,4-diamine
CID 155953932
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 114185903) is 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Brc1cccc2c1CCC2NCc1ccno1.
What is the InChIKey of 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JZBFWKSXZKXROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-16-17-9/h1-3,6-7,13,15H,4-5,8H2.
What are the key properties of 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.16 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114185903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).