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

C8H11NO3 — CID 105422708

IUPAC2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid
SMILESCC(C)c1conc1CC(=O)O
InChIInChI=1S/C8H11NO3/c1-5(2)6-4-12-9-7(6)3-8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyPVGXYSDGVGODPF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.43
Rot. Bonds3

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

2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid (PubChem CID 105422708) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid
PubChem CID105422708
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid
SMILESCC(C)c1conc1CC(=O)O
InChIInChI=1S/C8H11NO3/c1-5(2)6-4-12-9-7(6)3-8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyPVGXYSDGVGODPF-UHFFFAOYSA-N
XLogP1.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-Oxazol-3-yl)propanoic acid
CID 18989700
4-Cyclopropyl-1,2-oxazole-3-carboxylic acid
CID 54229745
2-(4-Methyl-1,2-oxazol-3-yl)acetic acid
CID 69300639
4-Propylisoxazole-3-carboxylic acid
CID 83635426
4-Cyclobutyl-1,2-oxazole-3-carboxylic acid
CID 84652576
2-(3-Methyl-1,2-oxazol-4-yl)propanoic acid
CID 18690716
3-(3-Methyl-1,2-oxazol-4-yl)propanoic acid
CID 54048481
Ethyl-4-isoxazol-propionic acid
CID 82597900
3-(4-Methyl-1,2-oxazol-3-yl)propanoic acid
CID 105422629
3-(2-Fluoroethyl)-4-propan-2-yl-1,2-oxazole
CID 166500479
5,5,5-Trifluoro-2-(1,2-oxazol-3-yl)pentanoic acid
CID 177757129
2-[3-(Hydroxymethyl)-1,2-oxazol-4-yl]propanoic acid
CID 18678856

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid?
The IUPAC name of 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid (CID 105422708) is 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid is CC(C)c1conc1CC(=O)O.
What is the InChIKey of 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid?
The InChIKey is PVGXYSDGVGODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)6-4-12-9-7(6)3-8(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid?
2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid is sourced from PubChem (CID 105422708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).