[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine

C10H16N2O2 — CID 65178843

IUPAC[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C10H16N2O2/c11-6-10-12-7-9(14-10)4-3-8-2-1-5-13-8/h7-8H,1-6,11H2
InChIKeyKLDARCQVJUXFAM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.24
Rot. Bonds4

About [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine

[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 65178843) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine
PubChem CID65178843
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C10H16N2O2/c11-6-10-12-7-9(14-10)4-3-8-2-1-5-13-8/h7-8H,1-6,11H2
InChIKeyKLDARCQVJUXFAM-UHFFFAOYSA-N
XLogP1.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine (CID 65178843) is [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine is NCc1ncc(CCC2CCCO2)o1.
What is the InChIKey of [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is KLDARCQVJUXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-6-10-12-7-9(14-10)4-3-8-2-1-5-13-8/h7-8H,1-6,11H2.
What are the key properties of [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine?
[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65178843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).