3-cyclopropyl-1,2-oxazole

C6H7NO — CID 18522786

IUPAC3-cyclopropyl-1,2-oxazole
SMILESc1cc(C2CC2)no1
InChIInChI=1S/C6H7NO/c1-2-5(1)6-3-4-8-7-6/h3-5H,1-2H2
InChIKeyJICQIUSBYUOAED-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.55
Rot. Bonds1

About 3-cyclopropyl-1,2-oxazole

3-cyclopropyl-1,2-oxazole (PubChem CID 18522786) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-1,2-oxazole
PubChem CID18522786
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-cyclopropyl-1,2-oxazole
SMILESc1cc(C2CC2)no1
InChIInChI=1S/C6H7NO/c1-2-5(1)6-3-4-8-7-6/h3-5H,1-2H2
InChIKeyJICQIUSBYUOAED-UHFFFAOYSA-N
XLogP1.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2-oxazole?
The IUPAC name of 3-cyclopropyl-1,2-oxazole (CID 18522786) is 3-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 3-cyclopropyl-1,2-oxazole?
The canonical SMILES for 3-cyclopropyl-1,2-oxazole is c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-1,2-oxazole?
The InChIKey is JICQIUSBYUOAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5(1)6-3-4-8-7-6/h3-5H,1-2H2.
What are the key properties of 3-cyclopropyl-1,2-oxazole?
3-cyclopropyl-1,2-oxazole has a molecular weight of 109.13 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 18522786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).