4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine

C14H23N3O — CID 19603620

IUPAC4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine
SMILESCCCCCNc1oncc1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3O/c1-3-4-5-8-15-14-13(10-16-18-14)12-7-6-9-17(2)11-12/h7,10,15H,3-6,8-9,11H2,1-2H3
InChIKeyIWIZHZUATXEJHM-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.00
Rot. Bonds6

About 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine

4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine (PubChem CID 19603620) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine
PubChem CID19603620
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine
SMILESCCCCCNc1oncc1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3O/c1-3-4-5-8-15-14-13(10-16-18-14)12-7-6-9-17(2)11-12/h7,10,15H,3-6,8-9,11H2,1-2H3
InChIKeyIWIZHZUATXEJHM-UHFFFAOYSA-N
XLogP3.00
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine (CID 19603620) is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine is CCCCCNc1oncc1C1=CCCN(C)C1.
What is the InChIKey of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine?
The InChIKey is IWIZHZUATXEJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-5-8-15-14-13(10-16-18-14)12-7-6-9-17(2)11-12/h7,10,15H,3-6,8-9,11H2,1-2H3.
What are the key properties of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine?
4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-pentyl-1,2-oxazol-5-amine is sourced from PubChem (CID 19603620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).