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

C6H8AtNO — CID 143140975

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 Name2-(1,3-oxazol-4-yl)propan-2-ylastatine
PubChem CID143140975
Molecular FormulaC6H8AtNO
Molecular Weight320.14 g/mol
Exact Mass320.05
IUPAC Name2-(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
XLogP1.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).