1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine

C12H20N2O — CID 103167146

IUPAC1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(CC2CCC2)o1
InChIInChI=1S/C12H20N2O/c1-3-13-9(2)12-14-8-11(15-12)7-10-5-4-6-10/h8-10,13H,3-7H2,1-2H3
InChIKeyKTAWOUKMRLHJTI-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.69
Rot. Bonds5

About 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine

1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 103167146) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID103167146
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(CC2CCC2)o1
InChIInChI=1S/C12H20N2O/c1-3-13-9(2)12-14-8-11(15-12)7-10-5-4-6-10/h8-10,13H,3-7H2,1-2H3
InChIKeyKTAWOUKMRLHJTI-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 103167146) is 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNC(C)c1ncc(CC2CCC2)o1.
What is the InChIKey of 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is KTAWOUKMRLHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-13-9(2)12-14-8-11(15-12)7-10-5-4-6-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 208.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 103167146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).