lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium

C6H9LiN2O2+2 — CID 162462451

IUPAClithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium
SMILESCc1ncc(CC([NH3+])=O)o1.[Li+]
InChIInChI=1S/C6H8N2O2.Li/c1-4-8-3-5(10-4)2-6(7)9;/h3H,2H2,1H3,(H2,7,9);/q;+1/p+1
InChIKeySCXPTZNPDPYZAV-UHFFFAOYSA-O
MW148.09 g/mol
LogP-3.70
Rot. Bonds2

About lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium

lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium (PubChem CID 162462451) has the molecular formula C6H9LiN2O2+2 and a molecular weight of 148.09 g/mol. Its IUPAC name is lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium.

Molecular Properties

Compound Namelithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium
PubChem CID162462451
Molecular FormulaC6H9LiN2O2+2
Molecular Weight148.09 g/mol
Exact Mass148.08
IUPAC Namelithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium
SMILESCc1ncc(CC([NH3+])=O)o1.[Li+]
InChIInChI=1S/C6H8N2O2.Li/c1-4-8-3-5(10-4)2-6(7)9;/h3H,2H2,1H3,(H2,7,9);/q;+1/p+1
InChIKeySCXPTZNPDPYZAV-UHFFFAOYSA-O
XLogP-3.70
TPSA70.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-3.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium?
The IUPAC name of lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium (CID 162462451) is lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium.
What is the SMILES notation for lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium?
The canonical SMILES for lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium is Cc1ncc(CC([NH3+])=O)o1.[Li+].
What is the InChIKey of lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium?
The InChIKey is SCXPTZNPDPYZAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2.Li/c1-4-8-3-5(10-4)2-6(7)9;/h3H,2H2,1H3,(H2,7,9);/q;+1/p+1.
What are the key properties of lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium?
lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium has a molecular weight of 148.09 g/mol, XLogP of -3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-(2-methyl-1,3-oxazol-5-yl)acetyl]azanium is sourced from PubChem (CID 162462451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).