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

C19H38N2OS — CID 162096671

IUPAC2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane
SMILESC.C.C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1
InChIInChI=1S/C8H13NO.C8H13NS.3CH4/c2*1-5(2)8-6(3)10-7(4)9-8;;;/h2*5H,1-4H3;3*1H4
InChIKeyZEILJRBRHODSRW-UHFFFAOYSA-N
MW342.59 g/mol
LogP7.21
Rot. Bonds2

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

2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane (PubChem CID 162096671) has the molecular formula C19H38N2OS and a molecular weight of 342.59 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane
PubChem CID162096671
Molecular FormulaC19H38N2OS
Molecular Weight342.59 g/mol
Exact Mass342.27
IUPAC Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane
SMILESC.C.C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1
InChIInChI=1S/C8H13NO.C8H13NS.3CH4/c2*1-5(2)8-6(3)10-7(4)9-8;;;/h2*5H,1-4H3;3*1H4
InChIKeyZEILJRBRHODSRW-UHFFFAOYSA-N
XLogP7.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane (CID 162096671) is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane is C.C.C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane?
The InChIKey is ZEILJRBRHODSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C8H13NS.3CH4/c2*1-5(2)8-6(3)10-7(4)9-8;;;/h2*5H,1-4H3;3*1H4.
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane?
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane has a molecular weight of 342.59 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane is sourced from PubChem (CID 162096671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).