2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid

C9H13NO3 — CID 83530225

IUPAC2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C(C)C)c1CC(=O)O
InChIInChI=1S/C9H13NO3/c1-5(2)9-7(4-8(11)12)6(3)10-13-9/h5H,4H2,1-3H3,(H,11,12)
InChIKeyHBPZKGTXCZGPPF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.73
Rot. Bonds3

About 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid

2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid (PubChem CID 83530225) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid
PubChem CID83530225
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C(C)C)c1CC(=O)O
InChIInChI=1S/C9H13NO3/c1-5(2)9-7(4-8(11)12)6(3)10-13-9/h5H,4H2,1-3H3,(H,11,12)
InChIKeyHBPZKGTXCZGPPF-UHFFFAOYSA-N
XLogP1.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid (CID 83530225) is 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid is Cc1noc(C(C)C)c1CC(=O)O.
What is the InChIKey of 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid?
The InChIKey is HBPZKGTXCZGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)9-7(4-8(11)12)6(3)10-13-9/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid?
2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid is sourced from PubChem (CID 83530225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).