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

C13H13BrN2O — CID 79145567

IUPACN-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1-c1ocnc1CNC1CC1
InChIInChI=1S/C13H13BrN2O/c14-11-4-2-1-3-10(11)13-12(16-8-17-13)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2
InChIKeyIRGZHWWCTUKGBN-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.36
Rot. Bonds4

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

N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145567) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145567
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1-c1ocnc1CNC1CC1
InChIInChI=1S/C13H13BrN2O/c14-11-4-2-1-3-10(11)13-12(16-8-17-13)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2
InChIKeyIRGZHWWCTUKGBN-UHFFFAOYSA-N
XLogP3.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145567) is N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Brc1ccccc1-c1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IRGZHWWCTUKGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-4-2-1-3-10(11)13-12(16-8-17-13)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).