sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate

C6H10NNaO2 — CID 59773749

IUPACsodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate
SMILESCC(C[O-])C1=NCCO1.[Na+]
InChIInChI=1S/C6H10NO2.Na/c1-5(4-8)6-7-2-3-9-6;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyBBWPAYLKXYDRPC-UHFFFAOYSA-N
MW151.14 g/mol
LogP-3.58
Rot. Bonds2

About sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate

sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate (PubChem CID 59773749) has the molecular formula C6H10NNaO2 and a molecular weight of 151.14 g/mol. Its IUPAC name is sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate.

Molecular Properties

Compound Namesodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate
PubChem CID59773749
Molecular FormulaC6H10NNaO2
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Namesodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate
SMILESCC(C[O-])C1=NCCO1.[Na+]
InChIInChI=1S/C6H10NO2.Na/c1-5(4-8)6-7-2-3-9-6;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyBBWPAYLKXYDRPC-UHFFFAOYSA-N
XLogP-3.58
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-3.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate?
The IUPAC name of sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate (CID 59773749) is sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate.
What is the SMILES notation for sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate?
The canonical SMILES for sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate is CC(C[O-])C1=NCCO1.[Na+].
What is the InChIKey of sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate?
The InChIKey is BBWPAYLKXYDRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2.Na/c1-5(4-8)6-7-2-3-9-6;/h5H,2-4H2,1H3;/q-1;+1.
What are the key properties of sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate?
sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate has a molecular weight of 151.14 g/mol, XLogP of -3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-olate is sourced from PubChem (CID 59773749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).