2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid

C10H15NO3 — CID 115087051

IUPAC2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid
SMILESCC(C)(C)Cc1ncc(CC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-10(2,3)5-8-11-6-7(14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyLXOWHMLZYZJTRT-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.89
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid

2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 115087051) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid
PubChem CID115087051
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid
SMILESCC(C)(C)Cc1ncc(CC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-10(2,3)5-8-11-6-7(14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyLXOWHMLZYZJTRT-UHFFFAOYSA-N
XLogP1.89
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxazoleacetic acid, methyl ester
CID 15153249
2-(2-Methyl-1,3-oxazol-5-yl)acetic acid
CID 58189150
2-(2-Tert-butyl-1,3-oxazol-5-YL)acetic acid
CID 82407315
2-Methyl-2-(1,3-oxazol-5-yl)propanoic acid
CID 82416426
Oxazole-5-acetic Acid
CID 21197975
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84764060
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
CID 84766371
2-[2-(Difluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84767241
2-[5-(2-Fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid
CID 84770270
2-[2-(2-Fluoropropan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 84770276
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
CID 84770277
2-[2-(1,1-Difluoroethyl)-1,3-oxazol-5-yl]acetic acid
CID 84771688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid (CID 115087051) is 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid is CC(C)(C)Cc1ncc(CC(=O)O)o1.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is LXOWHMLZYZJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)5-8-11-6-7(14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid?
2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115087051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).