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

C12H18N2O — CID 18960928

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole
SMILESCCCc1ncoc1C1=CCCN(C)C1
InChIInChI=1S/C12H18N2O/c1-3-5-11-12(15-9-13-11)10-6-4-7-14(2)8-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyNSVATOQSMCJQLW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.35
Rot. Bonds3

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

5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole (PubChem CID 18960928) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole
PubChem CID18960928
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole
SMILESCCCc1ncoc1C1=CCCN(C)C1
InChIInChI=1S/C12H18N2O/c1-3-5-11-12(15-9-13-11)10-6-4-7-14(2)8-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyNSVATOQSMCJQLW-UHFFFAOYSA-N
XLogP2.35
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole (CID 18960928) is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole is CCCc1ncoc1C1=CCCN(C)C1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole?
The InChIKey is NSVATOQSMCJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-11-12(15-9-13-11)10-6-4-7-14(2)8-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole?
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole is sourced from PubChem (CID 18960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).