4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid

C17H27N3O5 — CID 19603626

IUPAC4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid
SMILESCCCN(CCC)c1oncc1C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O.C2H2O4/c1-4-8-18(9-5-2)15-14(11-16-19-15)13-7-6-10-17(3)12-13;3-1(4)2(5)6/h7,11H,4-6,8-10,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLFBNYDWWNOHVOH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.18
Rot. Bonds6

About 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid

4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid (PubChem CID 19603626) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid.

Molecular Properties

Compound Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid
PubChem CID19603626
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid
SMILESCCCN(CCC)c1oncc1C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O.C2H2O4/c1-4-8-18(9-5-2)15-14(11-16-19-15)13-7-6-10-17(3)12-13;3-1(4)2(5)6/h7,11H,4-6,8-10,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLFBNYDWWNOHVOH-UHFFFAOYSA-N
XLogP2.18
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid 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 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid?
The IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid (CID 19603626) is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid.
What is the SMILES notation for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid?
The canonical SMILES for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid is CCCN(CCC)c1oncc1C1=CCCN(C)C1.O=C(O)C(=O)O.
What is the InChIKey of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid?
The InChIKey is LFBNYDWWNOHVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.C2H2O4/c1-4-8-18(9-5-2)15-14(11-16-19-15)13-7-6-10-17(3)12-13;3-1(4)2(5)6/h7,11H,4-6,8-10,12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid?
4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid has a molecular weight of 353.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid is sourced from PubChem (CID 19603626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).