ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate

C10H11N3O3 — CID 10846618

IUPACethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccn(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-15-10(14)8-9(16-6-11-8)7-4-5-13(2)12-7/h4-6H,3H2,1-2H3
InChIKeyYIZKVLDSFWLEFD-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.25
Rot. Bonds3

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

ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 10846618) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID10846618
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccn(C)n1
InChIInChI=1S/C10H11N3O3/c1-3-15-10(14)8-9(16-6-11-8)7-4-5-13(2)12-7/h4-6H,3H2,1-2H3
InChIKeyYIZKVLDSFWLEFD-UHFFFAOYSA-N
XLogP1.25
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate (CID 10846618) is ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccn(C)n1.
What is the InChIKey of ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is YIZKVLDSFWLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-15-10(14)8-9(16-6-11-8)7-4-5-13(2)12-7/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10846618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).