3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole

C16H28N2O2 — CID 157304285

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole
SMILESCC.CC(C)c1ccno1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6/c1-5(2)8-6(3)7(4)9-10-8;1-5(2)6-3-4-7-8-6;1-2/h5H,1-4H3;3-5H,1-2H3;1-2H3
InChIKeyBCGPSWWQJLGSNW-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.24
Rot. Bonds2

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole (PubChem CID 157304285) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole
PubChem CID157304285
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole
SMILESCC.CC(C)c1ccno1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6/c1-5(2)8-6(3)7(4)9-10-8;1-5(2)6-3-4-7-8-6;1-2/h5H,1-4H3;3-5H,1-2H3;1-2H3
InChIKeyBCGPSWWQJLGSNW-UHFFFAOYSA-N
XLogP5.24
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole (CID 157304285) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole is CC.CC(C)c1ccno1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole?
The InChIKey is BCGPSWWQJLGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C6H9NO.C2H6/c1-5(2)8-6(3)7(4)9-10-8;1-5(2)6-3-4-7-8-6;1-2/h5H,1-4H3;3-5H,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole?
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole has a molecular weight of 280.41 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 157304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).