(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C6H12N2O — CID 25220800

IUPAC(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCCC1=NOC(CN)C1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3
InChIKeyOSTRPKKMBVWFFI-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.50
Rot. Bonds2

About (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 25220800) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID25220800
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCCC1=NOC(CN)C1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3
InChIKeyOSTRPKKMBVWFFI-UHFFFAOYSA-N
XLogP0.50
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 25220800) is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is CCC1=NOC(CN)C1.
What is the InChIKey of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is OSTRPKKMBVWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3.
What are the key properties of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 128.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 25220800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).