2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid

C9H15NO3 — CID 84660144

IUPAC2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
SMILESCC(C)(C)C1CN=C(CC(=O)O)O1
InChIInChI=1S/C9H15NO3/c1-9(2,3)6-5-10-7(13-6)4-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyWCEFVLQNSUKCRQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds2

About 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid

2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid (PubChem CID 84660144) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
PubChem CID84660144
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
SMILESCC(C)(C)C1CN=C(CC(=O)O)O1
InChIInChI=1S/C9H15NO3/c1-9(2,3)6-5-10-7(13-6)4-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyWCEFVLQNSUKCRQ-UHFFFAOYSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(5-tert-butyl-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-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid (CID 84660144) is 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid is CC(C)(C)C1CN=C(CC(=O)O)O1.
What is the InChIKey of 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The InChIKey is WCEFVLQNSUKCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)6-5-10-7(13-6)4-8(11)12/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 84660144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).