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

C17H32N2O2 — CID 161495135

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole
SMILESC.CC.CC(C)c1ccno1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6.CH4/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;1H4
InChIKeyWGCFKFQKJLGJDQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.88
Rot. Bonds2

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

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole (PubChem CID 161495135) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole
PubChem CID161495135
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole
SMILESC.CC.CC(C)c1ccno1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.C6H9NO.C2H6.CH4/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;1H4
InChIKeyWGCFKFQKJLGJDQ-UHFFFAOYSA-N
XLogP5.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.88
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;methane;5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole (CID 161495135) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole is C.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;methane;5-propan-2-yl-1,2-oxazole?
The InChIKey is WGCFKFQKJLGJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C6H9NO.C2H6.CH4/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;1H4.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole?
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;ethane;methane;5-propan-2-yl-1,2-oxazole has a molecular weight of 296.46 g/mol, XLogP of 5.88, 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;methane;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 161495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).