ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate

C9H13NO4 — CID 166447317

IUPACethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1CCCO
InChIInChI=1S/C9H13NO4/c1-2-13-9(12)8-7(4-3-5-11)14-6-10-8/h6,11H,2-5H2,1H3
InChIKeyPVBLICSTBWGZKM-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.78
Rot. Bonds5

About ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate

ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate (PubChem CID 166447317) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate
PubChem CID166447317
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1CCCO
InChIInChI=1S/C9H13NO4/c1-2-13-9(12)8-7(4-3-5-11)14-6-10-8/h6,11H,2-5H2,1H3
InChIKeyPVBLICSTBWGZKM-UHFFFAOYSA-N
XLogP0.78
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate (CID 166447317) is ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1CCCO.
What is the InChIKey of ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate?
The InChIKey is PVBLICSTBWGZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-13-9(12)8-7(4-3-5-11)14-6-10-8/h6,11H,2-5H2,1H3.
What are the key properties of ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-hydroxypropyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 166447317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).