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

C11H18N2O2 — CID 103164213

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2C)C1
InChIInChI=1S/C11H18N2O2/c1-3-14-9-4-8(5-9)6-10-7(2)11(12)15-13-10/h8-9H,3-6,12H2,1-2H3
InChIKeyPSABYAZRSIJAOB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.92
Rot. Bonds4

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

3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine (PubChem CID 103164213) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
PubChem CID103164213
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2C)C1
InChIInChI=1S/C11H18N2O2/c1-3-14-9-4-8(5-9)6-10-7(2)11(12)15-13-10/h8-9H,3-6,12H2,1-2H3
InChIKeyPSABYAZRSIJAOB-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine (CID 103164213) is 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine is CCOC1CC(Cc2noc(N)c2C)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine?
The InChIKey is PSABYAZRSIJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-14-9-4-8(5-9)6-10-7(2)11(12)15-13-10/h8-9H,3-6,12H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine?
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine has a molecular weight of 210.28 g/mol, XLogP of 1.92, 4 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-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 103164213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).