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

C12H18N2O2 — CID 79145755

IUPACN-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)c(C2CCCCO2)o1
InChIInChI=1S/C12H18N2O2/c1-2-6-15-11(3-1)12-10(14-8-16-12)7-13-9-4-5-9/h8-9,11,13H,1-7H2
InChIKeyXIZHUEDYKZLATG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds4

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

N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145755) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145755
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)c(C2CCCCO2)o1
InChIInChI=1S/C12H18N2O2/c1-2-6-15-11(3-1)12-10(14-8-16-12)7-13-9-4-5-9/h8-9,11,13H,1-7H2
InChIKeyXIZHUEDYKZLATG-UHFFFAOYSA-N
XLogP2.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145755) is N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is c1nc(CNC2CC2)c(C2CCCCO2)o1.
What is the InChIKey of N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is XIZHUEDYKZLATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-6-15-11(3-1)12-10(14-8-16-12)7-13-9-4-5-9/h8-9,11,13H,1-7H2.
What are the key properties of N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 222.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).