(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid

C11H17NO4 — CID 104876270

IUPAC(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-7(10(13)14)15-6-9-12-5-8(16-9)11(2,3)4/h5,7H,6H2,1-4H3,(H,13,14)/t7-/m0/s1
InChIKeyHKNIGEVZXLLETB-ZETCQYMHSA-N
MW227.26 g/mol
LogP1.96
Rot. Bonds4

About (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid

(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid (PubChem CID 104876270) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
PubChem CID104876270
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-7(10(13)14)15-6-9-12-5-8(16-9)11(2,3)4/h5,7H,6H2,1-4H3,(H,13,14)/t7-/m0/s1
InChIKeyHKNIGEVZXLLETB-ZETCQYMHSA-N
XLogP1.96
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
CID 55097181
(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid
CID 104875510
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
CID 122067483
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991561
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide
CID 120991562
1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one
CID 157081644
1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone
CID 86783394
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 43352332
(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
CID 71985728
(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate
CID 100611545
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid (CID 104876270) is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid is C[C@H](OCc1ncc(C(C)(C)C)o1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid?
The InChIKey is HKNIGEVZXLLETB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(10(13)14)15-6-9-12-5-8(16-9)11(2,3)4/h5,7H,6H2,1-4H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid?
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid is sourced from PubChem (CID 104876270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).