3,5-di(propan-2-yl)-1,2-oxazole;methane

C10H19NO — CID 160901645

IUPAC3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.CC(C)c1cc(C(C)C)on1
InChIInChI=1S/C9H15NO.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;/h5-7H,1-4H3;1H4
InChIKeySPOUSIAJYMVBKF-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.56
Rot. Bonds2

About 3,5-di(propan-2-yl)-1,2-oxazole;methane

3,5-di(propan-2-yl)-1,2-oxazole;methane (PubChem CID 160901645) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2-oxazole;methane.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2-oxazole;methane
PubChem CID160901645
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.CC(C)c1cc(C(C)C)on1
InChIInChI=1S/C9H15NO.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;/h5-7H,1-4H3;1H4
InChIKeySPOUSIAJYMVBKF-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 158635482
3-chloro-5-propan-2-yl-1,2-oxazole
CID 58942651
2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 83828593
1-[1-(5-propan-2-yl-1,2-oxazol-3-yl)ethyl]cyclopropan-1-amine
CID 83907733
2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile
CID 130130105
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
5-propan-2-yl-1,2-oxazol-3-amine
CID 13334663
2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 112716588
2-cyclopropyl-N-methyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)ethanamine
CID 83834276
3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal
CID 83833821
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;methane?
The IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;methane (CID 160901645) is 3,5-di(propan-2-yl)-1,2-oxazole;methane.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2-oxazole;methane?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2-oxazole;methane is C.CC(C)c1cc(C(C)C)on1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2-oxazole;methane?
The InChIKey is SPOUSIAJYMVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;/h5-7H,1-4H3;1H4.
What are the key properties of 3,5-di(propan-2-yl)-1,2-oxazole;methane?
3,5-di(propan-2-yl)-1,2-oxazole;methane has a molecular weight of 169.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2-oxazole;methane is sourced from PubChem (CID 160901645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).