2-propyl-5H-1,2-oxazole

C6H11NO — CID 54192048

IUPAC2-propyl-5H-1,2-oxazole
SMILESCCCN1C=CCO1
InChIInChI=1S/C6H11NO/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeyCXAWCNOXGZANKI-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.16
Rot. Bonds2

About 2-propyl-5H-1,2-oxazole

2-propyl-5H-1,2-oxazole (PubChem CID 54192048) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-propyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2-propyl-5H-1,2-oxazole
PubChem CID54192048
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-propyl-5H-1,2-oxazole
SMILESCCCN1C=CCO1
InChIInChI=1S/C6H11NO/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeyCXAWCNOXGZANKI-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5H-1,2-oxazole?
The IUPAC name of 2-propyl-5H-1,2-oxazole (CID 54192048) is 2-propyl-5H-1,2-oxazole.
What is the SMILES notation for 2-propyl-5H-1,2-oxazole?
The canonical SMILES for 2-propyl-5H-1,2-oxazole is CCCN1C=CCO1.
What is the InChIKey of 2-propyl-5H-1,2-oxazole?
The InChIKey is CXAWCNOXGZANKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-propyl-5H-1,2-oxazole?
2-propyl-5H-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5H-1,2-oxazole is sourced from PubChem (CID 54192048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).