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

C13H22N2O2 — CID 103167470

IUPAC5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCCOC1CC(Cc2onc(N)c2C(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-4-16-10-5-9(6-10)7-11-12(8(2)3)13(14)15-17-11/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyNXKWZHKNSZFTFW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.74
Rot. Bonds5

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

5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 103167470) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
PubChem CID103167470
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCCOC1CC(Cc2onc(N)c2C(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-4-16-10-5-9(6-10)7-11-12(8(2)3)13(14)15-17-11/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyNXKWZHKNSZFTFW-UHFFFAOYSA-N
XLogP2.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine (CID 103167470) is 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine is CCOC1CC(Cc2onc(N)c2C(C)C)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is NXKWZHKNSZFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-16-10-5-9(6-10)7-11-12(8(2)3)13(14)15-17-11/h8-10H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 103167470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).