(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C6H12N2O2 — CID 533931

IUPAC(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCCOC1=NOC(CN)C1
InChIInChI=1S/C6H12N2O2/c1-2-9-6-3-5(4-7)10-8-6/h5H,2-4,7H2,1H3
InChIKeyLVHJXBKVSLHRKJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.08
Rot. Bonds2

About (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine

(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 533931) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID533931
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCCOC1=NOC(CN)C1
InChIInChI=1S/C6H12N2O2/c1-2-9-6-3-5(4-7)10-8-6/h5H,2-4,7H2,1H3
InChIKeyLVHJXBKVSLHRKJ-UHFFFAOYSA-N
XLogP0.08
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 533931) is (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine is CCOC1=NOC(CN)C1.
What is the InChIKey of (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is LVHJXBKVSLHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-9-6-3-5(4-7)10-8-6/h5H,2-4,7H2,1H3.
What are the key properties of (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 144.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).