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

C11H18N2O2 — CID 65179160

IUPACN-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c1-2-12-8-11-13-7-10(15-11)9-5-3-4-6-14-9/h7,9,12H,2-6,8H2,1H3
InChIKeyMBJUUXJZKHCUPY-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.03
Rot. Bonds4

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

N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65179160) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65179160
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c1-2-12-8-11-13-7-10(15-11)9-5-3-4-6-14-9/h7,9,12H,2-6,8H2,1H3
InChIKeyMBJUUXJZKHCUPY-UHFFFAOYSA-N
XLogP2.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.03
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-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65179160) is N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(C2CCCCO2)o1.
What is the InChIKey of N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is MBJUUXJZKHCUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-12-8-11-13-7-10(15-11)9-5-3-4-6-14-9/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 2.03, 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-2-yl]methyl]ethanamine is sourced from PubChem (CID 65179160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).