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

C12H20N2O2 — CID 115034594

IUPAC3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC1(c2ncc(CCCN)o2)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-12(4-7-15-8-5-12)11-14-9-10(16-11)3-2-6-13/h9H,2-8,13H2,1H3
InChIKeyWDCPUTOOEFGODW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.63
Rot. Bonds4

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

3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115034594) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115034594
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC1(c2ncc(CCCN)o2)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-12(4-7-15-8-5-12)11-14-9-10(16-11)3-2-6-13/h9H,2-8,13H2,1H3
InChIKeyWDCPUTOOEFGODW-UHFFFAOYSA-N
XLogP1.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine (CID 115034594) is 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine is CC1(c2ncc(CCCN)o2)CCOCC1.
What is the InChIKey of 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is WDCPUTOOEFGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(4-7-15-8-5-12)11-14-9-10(16-11)3-2-6-13/h9H,2-8,13H2,1H3.
What are the key properties of 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115034594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).