3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine

C12H20N2O2 — CID 103164225

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2CC)C1
InChIInChI=1S/C12H20N2O2/c1-3-10-11(14-16-12(10)13)7-8-5-9(6-8)15-4-2/h8-9H,3-7,13H2,1-2H3
InChIKeyFCKAEAFRZHVIDF-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.18
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine

3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine (PubChem CID 103164225) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
PubChem CID103164225
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2CC)C1
InChIInChI=1S/C12H20N2O2/c1-3-10-11(14-16-12(10)13)7-8-5-9(6-8)15-4-2/h8-9H,3-7,13H2,1-2H3
InChIKeyFCKAEAFRZHVIDF-UHFFFAOYSA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine (CID 103164225) is 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine is CCOC1CC(Cc2noc(N)c2CC)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is FCKAEAFRZHVIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-11(14-16-12(10)13)7-8-5-9(6-8)15-4-2/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine?
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 224.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 103164225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).