2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid

C9H15NO3 — CID 84660146

IUPAC2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)CC1COC(CC(=O)O)=N1
InChIInChI=1S/C9H15NO3/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeySZKHPXIBFYHFEU-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid

2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (PubChem CID 84660146) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
PubChem CID84660146
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)CC1COC(CC(=O)O)=N1
InChIInChI=1S/C9H15NO3/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeySZKHPXIBFYHFEU-UHFFFAOYSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (CID 84660146) is 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is CC(C)CC1COC(CC(=O)O)=N1.
What is the InChIKey of 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The InChIKey is SZKHPXIBFYHFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84660146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).