5-methyl-4,5-dihydro-1,3-oxazole;propane

C7H15NO — CID 142062997

IUPAC5-methyl-4,5-dihydro-1,3-oxazole;propane
SMILESCC1CN=CO1.CCC
InChIInChI=1S/C4H7NO.C3H8/c1-4-2-5-3-6-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3
InChIKeyHUCAZGVSJFHYCD-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds

About 5-methyl-4,5-dihydro-1,3-oxazole;propane

5-methyl-4,5-dihydro-1,3-oxazole;propane (PubChem CID 142062997) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1,3-oxazole;propane.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1,3-oxazole;propane
PubChem CID142062997
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-methyl-4,5-dihydro-1,3-oxazole;propane
SMILESCC1CN=CO1.CCC
InChIInChI=1S/C4H7NO.C3H8/c1-4-2-5-3-6-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3
InChIKeyHUCAZGVSJFHYCD-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1,3-oxazole;propane?
The IUPAC name of 5-methyl-4,5-dihydro-1,3-oxazole;propane (CID 142062997) is 5-methyl-4,5-dihydro-1,3-oxazole;propane.
What is the SMILES notation for 5-methyl-4,5-dihydro-1,3-oxazole;propane?
The canonical SMILES for 5-methyl-4,5-dihydro-1,3-oxazole;propane is CC1CN=CO1.CCC.
What is the InChIKey of 5-methyl-4,5-dihydro-1,3-oxazole;propane?
The InChIKey is HUCAZGVSJFHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8/c1-4-2-5-3-6-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-4,5-dihydro-1,3-oxazole;propane?
5-methyl-4,5-dihydro-1,3-oxazole;propane has a molecular weight of 129.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1,3-oxazole;propane is sourced from PubChem (CID 142062997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).