N-(1,2-oxazol-5-ylmethyl)ethanamine

C6H10N2O — CID 57419854

IUPACN-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCCNCc1ccno1
InChIInChI=1S/C6H10N2O/c1-2-7-5-6-3-4-8-9-6/h3-4,7H,2,5H2,1H3
InChIKeySHRDKLOMTAZNGJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.78
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)ethanamine

N-(1,2-oxazol-5-ylmethyl)ethanamine (PubChem CID 57419854) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)ethanamine
PubChem CID57419854
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCCNCc1ccno1
InChIInChI=1S/C6H10N2O/c1-2-7-5-6-3-4-8-9-6/h3-4,7H,2,5H2,1H3
InChIKeySHRDKLOMTAZNGJ-UHFFFAOYSA-N
XLogP0.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)ethanamine (CID 57419854) is N-(1,2-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)ethanamine is CCNCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)ethanamine?
The InChIKey is SHRDKLOMTAZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-7-5-6-3-4-8-9-6/h3-4,7H,2,5H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)ethanamine?
N-(1,2-oxazol-5-ylmethyl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 57419854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).