5-cyclopropyl-1,2-oxazole-4-carboxylate

C7H6NO3- — CID 51441738

IUPAC5-cyclopropyl-1,2-oxazole-4-carboxylate
SMILESO=C([O-])c1cnoc1C1CC1
InChIInChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyKIJMAOMSRMPYIY-UHFFFAOYSA-M
MW152.13 g/mol
LogP-0.08
Rot. Bonds2

About 5-cyclopropyl-1,2-oxazole-4-carboxylate

5-cyclopropyl-1,2-oxazole-4-carboxylate (PubChem CID 51441738) has the molecular formula C7H6NO3- and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-4-carboxylate
PubChem CID51441738
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-cyclopropyl-1,2-oxazole-4-carboxylate
SMILESO=C([O-])c1cnoc1C1CC1
InChIInChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyKIJMAOMSRMPYIY-UHFFFAOYSA-M
XLogP-0.08
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carboxylate (CID 51441738) is 5-cyclopropyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-4-carboxylate is O=C([O-])c1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-4-carboxylate?
The InChIKey is KIJMAOMSRMPYIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1.
What are the key properties of 5-cyclopropyl-1,2-oxazole-4-carboxylate?
5-cyclopropyl-1,2-oxazole-4-carboxylate has a molecular weight of 152.13 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 51441738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).