ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate

C17H25N3O5 — CID 144706853

IUPACethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1
InChIInChI=1S/C15H19N3O5.C2H6/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16;1-2/h3,5,9-10H,2,4,6-8,16H2,1H3;1-2H3
InChIKeyGPRCPBQAOFMIFF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.29
Rot. Bonds9

About ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate

ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 144706853) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID144706853
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Nameethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1
InChIInChI=1S/C15H19N3O5.C2H6/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16;1-2/h3,5,9-10H,2,4,6-8,16H2,1H3;1-2H3
InChIKeyGPRCPBQAOFMIFF-UHFFFAOYSA-N
XLogP2.29
TPSA109.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 118636201
ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 90431118
ethyl 6-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]pyridine-2-carboxylate
CID 90431102
ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 118336683
ethyl 2-[4-(3-aminophenoxy)pyrimidin-2-yl]-1,3-oxazole-4-carboxylate
CID 58917188
2-[2-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;ethyl 2-[2-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 160882449
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
CID 71289099
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 164735405

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate (CID 144706853) is ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate is CC.CCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1.
What is the InChIKey of ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is GPRCPBQAOFMIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5.C2H6/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16;1-2/h3,5,9-10H,2,4,6-8,16H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 144706853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).