1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

C7H14N2O — CID 51698766

IUPAC1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCCC1=NO[C@@H](CNC)C1
InChIInChI=1S/C7H14N2O/c1-3-6-4-7(5-8-2)10-9-6/h7-8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyZMITXKSKRXRCSG-SSDOTTSWSA-N
MW142.20 g/mol
LogP0.76
Rot. Bonds3

About 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (PubChem CID 51698766) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
PubChem CID51698766
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCCC1=NO[C@@H](CNC)C1
InChIInChI=1S/C7H14N2O/c1-3-6-4-7(5-8-2)10-9-6/h7-8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyZMITXKSKRXRCSG-SSDOTTSWSA-N
XLogP0.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (CID 51698766) is 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is CCC1=NO[C@@H](CNC)C1.
What is the InChIKey of 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is ZMITXKSKRXRCSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-6-4-7(5-8-2)10-9-6/h7-8H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 142.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 51698766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).