1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine

C11H17N3O — CID 114413098

IUPAC1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CC=CCC2)on1
InChIInChI=1S/C11H17N3O/c1-12-8-10-7-11(15-13-10)9-14-5-3-2-4-6-14/h2-3,7,12H,4-6,8-9H2,1H3
InChIKeyQYUSBPORTBLFDS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.16
Rot. Bonds4

About 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 114413098) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID114413098
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CC=CCC2)on1
InChIInChI=1S/C11H17N3O/c1-12-8-10-7-11(15-13-10)9-14-5-3-2-4-6-14/h2-3,7,12H,4-6,8-9H2,1H3
InChIKeyQYUSBPORTBLFDS-UHFFFAOYSA-N
XLogP1.16
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine (CID 114413098) is 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(CN2CC=CCC2)on1.
What is the InChIKey of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is QYUSBPORTBLFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-8-10-7-11(15-13-10)9-14-5-3-2-4-6-14/h2-3,7,12H,4-6,8-9H2,1H3.
What are the key properties of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114413098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).