1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine

C17H24N4O2 — CID 138001164

IUPAC1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCOc1ncccc1CNCc1cc(C2CCNCC2)no1
InChIInChI=1S/C17H24N4O2/c1-2-22-17-14(4-3-7-20-17)11-19-12-15-10-16(21-23-15)13-5-8-18-9-6-13/h3-4,7,10,13,18-19H,2,5-6,8-9,11-12H2,1H3
InChIKeyNGBDCMROYHOBLQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.23
Rot. Bonds7

About 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine

1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 138001164) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID138001164
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCOc1ncccc1CNCc1cc(C2CCNCC2)no1
InChIInChI=1S/C17H24N4O2/c1-2-22-17-14(4-3-7-20-17)11-19-12-15-10-16(21-23-15)13-5-8-18-9-6-13/h3-4,7,10,13,18-19H,2,5-6,8-9,11-12H2,1H3
InChIKeyNGBDCMROYHOBLQ-UHFFFAOYSA-N
XLogP2.23
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine 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 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 138001164) is 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is CCOc1ncccc1CNCc1cc(C2CCNCC2)no1.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is NGBDCMROYHOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-22-17-14(4-3-7-20-17)11-19-12-15-10-16(21-23-15)13-5-8-18-9-6-13/h3-4,7,10,13,18-19H,2,5-6,8-9,11-12H2,1H3.
What are the key properties of 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 138001164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).