2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid

C8H9NO3 — CID 82413932

IUPAC2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)on1
InChIInChI=1S/C8H9NO3/c10-8(11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyBHBXFEXSJWIJKJ-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.18
Rot. Bonds3

About 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid

2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid (PubChem CID 82413932) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid
PubChem CID82413932
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)on1
InChIInChI=1S/C8H9NO3/c10-8(11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyBHBXFEXSJWIJKJ-UHFFFAOYSA-N
XLogP1.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid?
The IUPAC name of 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid (CID 82413932) is 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid is O=C(O)Cc1cc(C2CC2)on1.
What is the InChIKey of 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid?
The InChIKey is BHBXFEXSJWIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid?
2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid is sourced from PubChem (CID 82413932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).