cyclopropyl 1,2-oxazole-4-carboxylate

C7H7NO3 — CID 145039827

IUPACcyclopropyl 1,2-oxazole-4-carboxylate
SMILESO=C(OC1CC1)c1cnoc1
InChIInChI=1S/C7H7NO3/c9-7(11-6-1-2-6)5-3-8-10-4-5/h3-4,6H,1-2H2
InChIKeyNKOZRDWBZGVUFV-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.99
Rot. Bonds2

About cyclopropyl 1,2-oxazole-4-carboxylate

cyclopropyl 1,2-oxazole-4-carboxylate (PubChem CID 145039827) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is cyclopropyl 1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl 1,2-oxazole-4-carboxylate
PubChem CID145039827
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namecyclopropyl 1,2-oxazole-4-carboxylate
SMILESO=C(OC1CC1)c1cnoc1
InChIInChI=1S/C7H7NO3/c9-7(11-6-1-2-6)5-3-8-10-4-5/h3-4,6H,1-2H2
InChIKeyNKOZRDWBZGVUFV-UHFFFAOYSA-N
XLogP0.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 1,2-oxazole-4-carboxylate?
The IUPAC name of cyclopropyl 1,2-oxazole-4-carboxylate (CID 145039827) is cyclopropyl 1,2-oxazole-4-carboxylate.
What is the SMILES notation for cyclopropyl 1,2-oxazole-4-carboxylate?
The canonical SMILES for cyclopropyl 1,2-oxazole-4-carboxylate is O=C(OC1CC1)c1cnoc1.
What is the InChIKey of cyclopropyl 1,2-oxazole-4-carboxylate?
The InChIKey is NKOZRDWBZGVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(11-6-1-2-6)5-3-8-10-4-5/h3-4,6H,1-2H2.
What are the key properties of cyclopropyl 1,2-oxazole-4-carboxylate?
cyclopropyl 1,2-oxazole-4-carboxylate has a molecular weight of 153.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 1,2-oxazole-4-carboxylate is sourced from PubChem (CID 145039827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).