4-cyclopropyl-1,3-oxazole

C6H7NO — CID 54550804

IUPAC4-cyclopropyl-1,3-oxazole
SMILESc1nc(C2CC2)co1
InChIInChI=1S/C6H7NO/c1-2-5(1)6-3-8-4-7-6/h3-5H,1-2H2
InChIKeyIXOJKLGEJFHVBI-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.55
Rot. Bonds1

About 4-cyclopropyl-1,3-oxazole

4-cyclopropyl-1,3-oxazole (PubChem CID 54550804) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclopropyl-1,3-oxazole
PubChem CID54550804
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-cyclopropyl-1,3-oxazole
SMILESc1nc(C2CC2)co1
InChIInChI=1S/C6H7NO/c1-2-5(1)6-3-8-4-7-6/h3-5H,1-2H2
InChIKeyIXOJKLGEJFHVBI-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 4-cyclopropyl-1,3-oxazole?
The IUPAC name of 4-cyclopropyl-1,3-oxazole (CID 54550804) is 4-cyclopropyl-1,3-oxazole.
What is the SMILES notation for 4-cyclopropyl-1,3-oxazole?
The canonical SMILES for 4-cyclopropyl-1,3-oxazole is c1nc(C2CC2)co1.
What is the InChIKey of 4-cyclopropyl-1,3-oxazole?
The InChIKey is IXOJKLGEJFHVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5(1)6-3-8-4-7-6/h3-5H,1-2H2.
What are the key properties of 4-cyclopropyl-1,3-oxazole?
4-cyclopropyl-1,3-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 4-cyclopropyl-1,3-oxazole is sourced from PubChem (CID 54550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).