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

C6H11NO — CID 11708053

IUPAC3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOCC1
InChIInChI=1S/C6H11NO/c1-2-3-6-4-5-8-7-6/h2-5H2,1H3
InChIKeyMCVKLBAZOHYTHJ-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.56
Rot. Bonds2

About 3-propyl-4,5-dihydro-1,2-oxazole

3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 11708053) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID11708053
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOCC1
InChIInChI=1S/C6H11NO/c1-2-3-6-4-5-8-7-6/h2-5H2,1H3
InChIKeyMCVKLBAZOHYTHJ-UHFFFAOYSA-N
XLogP1.56
TPSA21.59 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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-propyl-4,5-dihydro-1,2-oxazole (CID 11708053) is 3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOCC1.
What is the InChIKey of 3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is MCVKLBAZOHYTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-6-4-5-8-7-6/h2-5H2,1H3.
What are the key properties of 3-propyl-4,5-dihydro-1,2-oxazole?
3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11708053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).