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

C11H11BrN2O2 — CID 106856519

IUPACN-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1occc1-c1ocnc1CNC1CC1
InChIInChI=1S/C11H11BrN2O2/c12-11-8(3-4-15-11)10-9(14-6-16-10)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyLWEPJODRCMIGCH-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.95
Rot. Bonds4

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

N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 106856519) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID106856519
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESBrc1occc1-c1ocnc1CNC1CC1
InChIInChI=1S/C11H11BrN2O2/c12-11-8(3-4-15-11)10-9(14-6-16-10)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyLWEPJODRCMIGCH-UHFFFAOYSA-N
XLogP2.95
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 106856519) is N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Brc1occc1-c1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LWEPJODRCMIGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-11-8(3-4-15-11)10-9(14-6-16-10)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2.
What are the key properties of N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 283.12 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106856519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).