(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid

C9H13NO4 — CID 104875222

IUPAC(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
SMILESCc1noc(C)c1CO[C@H](C)C(=O)O
InChIInChI=1S/C9H13NO4/c1-5-8(6(2)14-10-5)4-13-7(3)9(11)12/h7H,4H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyBQQVGDIMIUBLIX-SSDOTTSWSA-N
MW199.21 g/mol
LogP1.28
Rot. Bonds4

About (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid

(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid (PubChem CID 104875222) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
PubChem CID104875222
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
SMILESCc1noc(C)c1CO[C@H](C)C(=O)O
InChIInChI=1S/C9H13NO4/c1-5-8(6(2)14-10-5)4-13-7(3)9(11)12/h7H,4H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyBQQVGDIMIUBLIX-SSDOTTSWSA-N
XLogP1.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97305645
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 94870790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid (CID 104875222) is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid is Cc1noc(C)c1CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid?
The InChIKey is BQQVGDIMIUBLIX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO4/c1-5-8(6(2)14-10-5)4-13-7(3)9(11)12/h7H,4H2,1-3H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid?
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid is sourced from PubChem (CID 104875222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).