ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine

C8H16N2O — CID 144800394

IUPACethane;(4-ethyl-1,3-oxazol-5-yl)methanamine
SMILESCC.CCc1ncoc1CN
InChIInChI=1S/C6H10N2O.C2H6/c1-2-5-6(3-7)9-4-8-5;1-2/h4H,2-3,7H2,1H3;1-2H3
InChIKeyLUJRKZBADYTFCI-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.72
Rot. Bonds2

About ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine

ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine (PubChem CID 144800394) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Nameethane;(4-ethyl-1,3-oxazol-5-yl)methanamine
PubChem CID144800394
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;(4-ethyl-1,3-oxazol-5-yl)methanamine
SMILESCC.CCc1ncoc1CN
InChIInChI=1S/C6H10N2O.C2H6/c1-2-5-6(3-7)9-4-8-5;1-2/h4H,2-3,7H2,1H3;1-2H3
InChIKeyLUJRKZBADYTFCI-UHFFFAOYSA-N
XLogP1.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine (CID 144800394) is ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine is CC.CCc1ncoc1CN.
What is the InChIKey of ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine?
The InChIKey is LUJRKZBADYTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-2-5-6(3-7)9-4-8-5;1-2/h4H,2-3,7H2,1H3;1-2H3.
What are the key properties of ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine?
ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine has a molecular weight of 156.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 144800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).