4-propyl-2,5-dihydro-1,2-oxazole

C6H11NO — CID 91607759

IUPAC4-propyl-2,5-dihydro-1,2-oxazole
SMILESCCCC1=CNOC1
InChIInChI=1S/C6H11NO/c1-2-3-6-4-7-8-5-6/h4,7H,2-3,5H2,1H3
InChIKeyABFLMDNVSSMCIX-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds2

About 4-propyl-2,5-dihydro-1,2-oxazole

4-propyl-2,5-dihydro-1,2-oxazole (PubChem CID 91607759) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-propyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-propyl-2,5-dihydro-1,2-oxazole
PubChem CID91607759
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-propyl-2,5-dihydro-1,2-oxazole
SMILESCCCC1=CNOC1
InChIInChI=1S/C6H11NO/c1-2-3-6-4-7-8-5-6/h4,7H,2-3,5H2,1H3
InChIKeyABFLMDNVSSMCIX-UHFFFAOYSA-N
XLogP1.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 4-propyl-2,5-dihydro-1,2-oxazole (CID 91607759) is 4-propyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-propyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-propyl-2,5-dihydro-1,2-oxazole is CCCC1=CNOC1.
What is the InChIKey of 4-propyl-2,5-dihydro-1,2-oxazole?
The InChIKey is ABFLMDNVSSMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-6-4-7-8-5-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 4-propyl-2,5-dihydro-1,2-oxazole?
4-propyl-2,5-dihydro-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91607759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).