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

C7H14N2O — CID 105428372

IUPAC2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCCC1=NOC(CCN)C1
InChIInChI=1S/C7H14N2O/c1-2-6-5-7(3-4-8)10-9-6/h7H,2-5,8H2,1H3
InChIKeyPZVDKMNFKQDNKQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.89
Rot. Bonds3

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

2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (PubChem CID 105428372) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
PubChem CID105428372
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCCC1=NOC(CCN)C1
InChIInChI=1S/C7H14N2O/c1-2-6-5-7(3-4-8)10-9-6/h7H,2-5,8H2,1H3
InChIKeyPZVDKMNFKQDNKQ-UHFFFAOYSA-N
XLogP0.89
TPSA47.61 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (CID 105428372) is 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is CCC1=NOC(CCN)C1.
What is the InChIKey of 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The InChIKey is PZVDKMNFKQDNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-6-5-7(3-4-8)10-9-6/h7H,2-5,8H2,1H3.
What are the key properties of 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine has a molecular weight of 142.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 105428372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).