sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate

C15H8ClFNNaO3S — CID 67547495

IUPACsodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
SMILESO=C([O-])Cc1oc(-c2ccc(F)cc2)nc1-c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C15H9ClFNO3S.Na/c16-12-6-5-11(22-12)14-10(7-13(19)20)21-15(18-14)8-1-3-9(17)4-2-8;/h1-6H,7H2,(H,19,20);/q;+1/p-1
InChIKeyJABAMRITPQMKOX-UHFFFAOYSA-M
MW359.74 g/mol
LogP0.16
Rot. Bonds4

About sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate

sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate (PubChem CID 67547495) has the molecular formula C15H8ClFNNaO3S and a molecular weight of 359.74 g/mol. Its IUPAC name is sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Namesodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
PubChem CID67547495
Molecular FormulaC15H8ClFNNaO3S
Molecular Weight359.74 g/mol
Exact Mass358.98
IUPAC Namesodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
SMILESO=C([O-])Cc1oc(-c2ccc(F)cc2)nc1-c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C15H9ClFNO3S.Na/c16-12-6-5-11(22-12)14-10(7-13(19)20)21-15(18-14)8-1-3-9(17)4-2-8;/h1-6H,7H2,(H,19,20);/q;+1/p-1
InChIKeyJABAMRITPQMKOX-UHFFFAOYSA-M
XLogP0.16
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate?
The IUPAC name of sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate (CID 67547495) is sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate?
The canonical SMILES for sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate is O=C([O-])Cc1oc(-c2ccc(F)cc2)nc1-c1ccc(Cl)s1.[Na+].
What is the InChIKey of sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate?
The InChIKey is JABAMRITPQMKOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9ClFNO3S.Na/c16-12-6-5-11(22-12)14-10(7-13(19)20)21-15(18-14)8-1-3-9(17)4-2-8;/h1-6H,7H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate?
sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate has a molecular weight of 359.74 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 67547495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).