4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole

C10H14N2O — CID 130638335

IUPAC4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole
SMILESCC1=CCCN(Cc2cocn2)C1
InChIInChI=1S/C10H14N2O/c1-9-3-2-4-12(5-9)6-10-7-13-8-11-10/h3,7-8H,2,4-6H2,1H3
InChIKeyLFBFVPDLJHETNO-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.83
Rot. Bonds2

About 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole

4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole (PubChem CID 130638335) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole
PubChem CID130638335
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole
SMILESCC1=CCCN(Cc2cocn2)C1
InChIInChI=1S/C10H14N2O/c1-9-3-2-4-12(5-9)6-10-7-13-8-11-10/h3,7-8H,2,4-6H2,1H3
InChIKeyLFBFVPDLJHETNO-UHFFFAOYSA-N
XLogP1.83
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole (CID 130638335) is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole is CC1=CCCN(Cc2cocn2)C1.
What is the InChIKey of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole?
The InChIKey is LFBFVPDLJHETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9-3-2-4-12(5-9)6-10-7-13-8-11-10/h3,7-8H,2,4-6H2,1H3.
What are the key properties of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole?
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 130638335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).