2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid

C8H11NO4 — CID 83391697

IUPAC2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid
SMILESCc1nc(C(C)(O)C(=O)O)oc1C
InChIInChI=1S/C8H11NO4/c1-4-5(2)13-6(9-4)8(3,12)7(10)11/h12H,1-3H3,(H,10,11)
InChIKeyZJXMWKHJOIHJJJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.58
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid

2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid (PubChem CID 83391697) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid
PubChem CID83391697
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid
SMILESCc1nc(C(C)(O)C(=O)O)oc1C
InChIInChI=1S/C8H11NO4/c1-4-5(2)13-6(9-4)8(3,12)7(10)11/h12H,1-3H3,(H,10,11)
InChIKeyZJXMWKHJOIHJJJ-UHFFFAOYSA-N
XLogP0.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate
CID 170382634
2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 110835201
2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
CID 106925415
2-hydroxy-2-(oxiren-2-yl)propanoic acid
CID 142719758
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
2-tert-butyl-4-iodo-5-methyl-1,3-oxazole
CID 146379675
2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
CID 63646307
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(ethylamino)-2-methylpentanoic acid
CID 106925390
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid (CID 83391697) is 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid is Cc1nc(C(C)(O)C(=O)O)oc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid?
The InChIKey is ZJXMWKHJOIHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-5(2)13-6(9-4)8(3,12)7(10)11/h12H,1-3H3,(H,10,11).
What are the key properties of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid?
2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 83391697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).