3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

C13H22N2O2 — CID 65178594

IUPAC3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC1OC(C)C(c2cnc(CCCN)o2)C1C
InChIInChI=1S/C13H22N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7-10,13H,4-6,14H2,1-3H3
InChIKeyFAOFBQJWAKYJAL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.09
Rot. Bonds4

About 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178594) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178594
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC1OC(C)C(c2cnc(CCCN)o2)C1C
InChIInChI=1S/C13H22N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7-10,13H,4-6,14H2,1-3H3
InChIKeyFAOFBQJWAKYJAL-UHFFFAOYSA-N
XLogP2.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178594) is 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is CC1OC(C)C(c2cnc(CCCN)o2)C1C.
What is the InChIKey of 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is FAOFBQJWAKYJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7-10,13H,4-6,14H2,1-3H3.
What are the key properties of 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).