3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine

C11H18N2O2 — CID 65179351

IUPAC3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7,12H2
InChIKeyBPXRLLQZKZFGJQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.81
Rot. Bonds4

About 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65179351) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65179351
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7,12H2
InChIKeyBPXRLLQZKZFGJQ-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65179351) is 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(C2CCCCO2)o1.
What is the InChIKey of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is BPXRLLQZKZFGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7,12H2.
What are the key properties of 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65179351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).