ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate

C10H12N2O4 — CID 70980010

IUPACethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NC2CC2)on1
InChIInChI=1S/C10H12N2O4/c1-2-15-10(14)7-5-8(16-12-7)9(13)11-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyNZRXZHTXCKMHQA-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.74
Rot. Bonds4

About ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate

ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate (PubChem CID 70980010) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate
PubChem CID70980010
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NC2CC2)on1
InChIInChI=1S/C10H12N2O4/c1-2-15-10(14)7-5-8(16-12-7)9(13)11-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyNZRXZHTXCKMHQA-UHFFFAOYSA-N
XLogP0.74
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate (CID 70980010) is ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(=O)NC2CC2)on1.
What is the InChIKey of ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate?
The InChIKey is NZRXZHTXCKMHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-15-10(14)7-5-8(16-12-7)9(13)11-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,13).
What are the key properties of ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 70980010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).