5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole

C13H20N2O2 — CID 57285684

IUPAC5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole
SMILESCOCCCc1cnc(C2=CCCN(C)C2)o1
InChIInChI=1S/C13H20N2O2/c1-15-7-3-5-11(10-15)13-14-9-12(17-13)6-4-8-16-2/h5,9H,3-4,6-8,10H2,1-2H3
InChIKeyPOEPKLMFQYLIIU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.97
Rot. Bonds5

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

5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole (PubChem CID 57285684) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole
PubChem CID57285684
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole
SMILESCOCCCc1cnc(C2=CCCN(C)C2)o1
InChIInChI=1S/C13H20N2O2/c1-15-7-3-5-11(10-15)13-14-9-12(17-13)6-4-8-16-2/h5,9H,3-4,6-8,10H2,1-2H3
InChIKeyPOEPKLMFQYLIIU-UHFFFAOYSA-N
XLogP1.97
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole?
The IUPAC name of 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole (CID 57285684) is 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole?
The canonical SMILES for 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole is COCCCc1cnc(C2=CCCN(C)C2)o1.
What is the InChIKey of 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole?
The InChIKey is POEPKLMFQYLIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-7-3-5-11(10-15)13-14-9-12(17-13)6-4-8-16-2/h5,9H,3-4,6-8,10H2,1-2H3.
What are the key properties of 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole?
5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole has a molecular weight of 236.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole is sourced from PubChem (CID 57285684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).