ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate

C9H11NO3 — CID 13496996

IUPACethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CC1
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)7-8(6-3-4-6)13-5-10-7/h5-6H,2-4H2,1H3
InChIKeyFFBACWXOVOFWQR-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.73
Rot. Bonds3

About ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate

ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate (PubChem CID 13496996) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate
PubChem CID13496996
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CC1
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)7-8(6-3-4-6)13-5-10-7/h5-6H,2-4H2,1H3
InChIKeyFFBACWXOVOFWQR-UHFFFAOYSA-N
XLogP1.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate (CID 13496996) is ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate?
The InChIKey is FFBACWXOVOFWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-12-9(11)7-8(6-3-4-6)13-5-10-7/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate?
ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 13496996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).