4-propan-2-yl-2,5-dihydro-1,3-oxazole

C6H11NO — CID 22898643

IUPAC4-propan-2-yl-2,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NCOC1
InChIInChI=1S/C6H11NO/c1-5(2)6-3-8-4-7-6/h5H,3-4H2,1-2H3
InChIKeyQMISGPYDJVBAFC-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.07
Rot. Bonds1

About 4-propan-2-yl-2,5-dihydro-1,3-oxazole

4-propan-2-yl-2,5-dihydro-1,3-oxazole (PubChem CID 22898643) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-propan-2-yl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2,5-dihydro-1,3-oxazole
PubChem CID22898643
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-propan-2-yl-2,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NCOC1
InChIInChI=1S/C6H11NO/c1-5(2)6-3-8-4-7-6/h5H,3-4H2,1-2H3
InChIKeyQMISGPYDJVBAFC-UHFFFAOYSA-N
XLogP1.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2,5-dihydro-1,3-oxazole (CID 22898643) is 4-propan-2-yl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2,5-dihydro-1,3-oxazole is CC(C)C1=NCOC1.
What is the InChIKey of 4-propan-2-yl-2,5-dihydro-1,3-oxazole?
The InChIKey is QMISGPYDJVBAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)6-3-8-4-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,5-dihydro-1,3-oxazole?
4-propan-2-yl-2,5-dihydro-1,3-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).