N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C13H12Br2N2O — CID 114376117

IUPACN-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Br)c(-c2nc(CNC3CC3)co2)c1
InChIInChI=1S/C13H12Br2N2O/c14-8-1-4-12(15)11(5-8)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2
InChIKeyAQXVWFWRRCWFDD-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.12
Rot. Bonds4

About N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 114376117) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID114376117
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC NameN-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Br)c(-c2nc(CNC3CC3)co2)c1
InChIInChI=1S/C13H12Br2N2O/c14-8-1-4-12(15)11(5-8)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2
InChIKeyAQXVWFWRRCWFDD-UHFFFAOYSA-N
XLogP4.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 114376117) is N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Brc1ccc(Br)c(-c2nc(CNC3CC3)co2)c1.
What is the InChIKey of N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AQXVWFWRRCWFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c14-8-1-4-12(15)11(5-8)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2.
What are the key properties of N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 372.06 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114376117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).