3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane

C18H35N3O3 — CID 157092765

IUPAC3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane
SMILESC.C.C.CC1=NOCC1C.Cc1cnoc1C.Cc1conc1C
InChIInChI=1S/C5H9NO.2C5H7NO.3CH4/c2*1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;;;/h4H,3H2,1-2H3;2*3H,1-2H3;3*1H4
InChIKeyAEVWVOZIMMWQEK-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.52
Rot. Bonds

About 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane

3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane (PubChem CID 157092765) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

Compound Name3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane
PubChem CID157092765
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane
SMILESC.C.C.CC1=NOCC1C.Cc1cnoc1C.Cc1conc1C
InChIInChI=1S/C5H9NO.2C5H7NO.3CH4/c2*1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;;;/h4H,3H2,1-2H3;2*3H,1-2H3;3*1H4
InChIKeyAEVWVOZIMMWQEK-UHFFFAOYSA-N
XLogP5.52
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane?
The IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane (CID 157092765) is 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane.
What is the SMILES notation for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane?
The canonical SMILES for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane is C.C.C.CC1=NOCC1C.Cc1cnoc1C.Cc1conc1C.
What is the InChIKey of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane?
The InChIKey is AEVWVOZIMMWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.2C5H7NO.3CH4/c2*1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;;;/h4H,3H2,1-2H3;2*3H,1-2H3;3*1H4.
What are the key properties of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane?
3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane has a molecular weight of 341.50 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 157092765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).