2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid

C15H25NO3 — CID 68930318

IUPAC2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)c1noc(C(C)C)c1C(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-8(2)12-10(13(9(3)4)19-16-12)11(14(17)18)15(5,6)7/h8-9,11H,1-7H3,(H,17,18)
InChIKeyBNFXEBLPLAKRJH-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.14
Rot. Bonds4

About 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid

2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid (PubChem CID 68930318) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid
PubChem CID68930318
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)c1noc(C(C)C)c1C(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-8(2)12-10(13(9(3)4)19-16-12)11(14(17)18)15(5,6)7/h8-9,11H,1-7H3,(H,17,18)
InChIKeyBNFXEBLPLAKRJH-UHFFFAOYSA-N
XLogP4.14
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid (CID 68930318) is 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid is CC(C)c1noc(C(C)C)c1C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid?
The InChIKey is BNFXEBLPLAKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8(2)12-10(13(9(3)4)19-16-12)11(14(17)18)15(5,6)7/h8-9,11H,1-7H3,(H,17,18).
What are the key properties of 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid?
2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid has a molecular weight of 267.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)-1,2-oxazol-4-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 68930318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).