2-(1,3-oxazol-4-yl)propan-2-ylastatine

Name: 2-(1,3-oxazol-4-yl)propan-2-ylastatine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₈AtNO — CID 143140975

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(1,3-oxazol-4-yl)propan-2-ylastatine

SMILESCC(C)([At])c1cocn1

InChIInChI=1S/C6H8AtNO/c1-6(2,7)5-3-9-4-8-5/h3-4H,1-2H3

InChIKeyJEKJNFHHIYEDHO-UHFFFAOYSA-N

MW320.14 g/mol

LogP1.46

Rot. Bonds1

About 2-(1,3-oxazol-4-yl)propan-2-ylastatine

2-(1,3-oxazol-4-yl)propan-2-ylastatine (PubChem CID 143140975) has the molecular formula C₆H₈AtNO and a molecular weight of 320.14 g/mol. Its IUPAC name is 2-(1,3-oxazol-4-yl)propan-2-ylastatine.

Molecular Properties

Compound Name	2-(1,3-oxazol-4-yl)propan-2-ylastatine
PubChem CID	143140975
Molecular Formula	C₆H₈AtNO
Molecular Weight	320.14 g/mol
Exact Mass	320.05
IUPAC Name	2-(1,3-oxazol-4-yl)propan-2-ylastatine
SMILES	CC(C)([At])c1cocn1
InChI	InChI=1S/C6H8AtNO/c1-6(2,7)5-3-9-4-8-5/h3-4H,1-2H3
InChIKey	JEKJNFHHIYEDHO-UHFFFAOYSA-N
XLogP	1.46
TPSA	26.03 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.14
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-4-yl)propan-2-ylastatine?

The IUPAC name of 2-(1,3-oxazol-4-yl)propan-2-ylastatine (CID 143140975) is 2-(1,3-oxazol-4-yl)propan-2-ylastatine.

What is the SMILES notation for 2-(1,3-oxazol-4-yl)propan-2-ylastatine?

The canonical SMILES for 2-(1,3-oxazol-4-yl)propan-2-ylastatine is CC(C)([At])c1cocn1.

What is the InChIKey of 2-(1,3-oxazol-4-yl)propan-2-ylastatine?

The InChIKey is JEKJNFHHIYEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8AtNO/c1-6(2,7)5-3-9-4-8-5/h3-4H,1-2H3.

What are the key properties of 2-(1,3-oxazol-4-yl)propan-2-ylastatine?

2-(1,3-oxazol-4-yl)propan-2-ylastatine has a molecular weight of 320.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-oxazol-4-yl)propan-2-ylastatine is sourced from PubChem (CID 143140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 143140975 — identifiers, structure, computed properties (public domain)

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