2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid

C6H7NO4 — CID 82415982

IUPAC2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
SMILESCc1coc(C(O)C(=O)O)n1
InChIInChI=1S/C6H7NO4/c1-3-2-11-5(7-3)4(8)6(9)10/h2,4,8H,1H3,(H,9,10)
InChIKeyTZBCPKIQJDUEJH-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.10
Rot. Bonds2

About 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid

2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid (PubChem CID 82415982) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
PubChem CID82415982
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
SMILESCc1coc(C(O)C(=O)O)n1
InChIInChI=1S/C6H7NO4/c1-3-2-11-5(7-3)4(8)6(9)10/h2,4,8H,1H3,(H,9,10)
InChIKeyTZBCPKIQJDUEJH-UHFFFAOYSA-N
XLogP0.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid
CID 115021616
2-methyl-1-(4-methyl-1,3-oxazol-2-yl)propan-1-ol
CID 13159076
(4-methyl-1,3-oxazol-2-yl)-phenylmethanol
CID 13159069
N-[(1S)-1-(4-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 102227163
(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
CID 83617838
3-amino-1-(4-methyl-1,3-oxazol-2-yl)propan-1-ol
CID 82416174
4-methyl-1,3-oxazole-2-carboxamide
CID 15116130
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
4-methyl-2-pentan-2-yl-1,3-oxazole
CID 145099076
2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
CID 110835158
1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
CID 82416558
(E)-3-(4-methyl-1,3-oxazol-2-yl)prop-2-enoic acid
CID 75444248

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid (CID 82415982) is 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid is Cc1coc(C(O)C(=O)O)n1.
What is the InChIKey of 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The InChIKey is TZBCPKIQJDUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-3-2-11-5(7-3)4(8)6(9)10/h2,4,8H,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid has a molecular weight of 157.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 82415982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).