fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate

C15H12ClFN2O6 — CID 131968395

IUPACfluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate
SMILESCc1ncc(COc2cc3oc(=O)n(CCC(=O)OF)c3cc2Cl)o1
InChIInChI=1S/C15H12ClFN2O6/c1-8-18-6-9(23-8)7-22-12-5-13-11(4-10(12)16)19(15(21)24-13)3-2-14(20)25-17/h4-6H,2-3,7H2,1H3
InChIKeyAZOOOIRINOQMBU-UHFFFAOYSA-N
MW370.72 g/mol
LogP2.94
Rot. Bonds6

About fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate

fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate (PubChem CID 131968395) has the molecular formula C15H12ClFN2O6 and a molecular weight of 370.72 g/mol. Its IUPAC name is fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate.

Molecular Properties

Compound Namefluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate
PubChem CID131968395
Molecular FormulaC15H12ClFN2O6
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Namefluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate
SMILESCc1ncc(COc2cc3oc(=O)n(CCC(=O)OF)c3cc2Cl)o1
InChIInChI=1S/C15H12ClFN2O6/c1-8-18-6-9(23-8)7-22-12-5-13-11(4-10(12)16)19(15(21)24-13)3-2-14(20)25-17/h4-6H,2-3,7H2,1H3
InChIKeyAZOOOIRINOQMBU-UHFFFAOYSA-N
XLogP2.94
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The IUPAC name of fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate (CID 131968395) is fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate.
What is the SMILES notation for fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The canonical SMILES for fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate is Cc1ncc(COc2cc3oc(=O)n(CCC(=O)OF)c3cc2Cl)o1.
What is the InChIKey of fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The InChIKey is AZOOOIRINOQMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O6/c1-8-18-6-9(23-8)7-22-12-5-13-11(4-10(12)16)19(15(21)24-13)3-2-14(20)25-17/h4-6H,2-3,7H2,1H3.
What are the key properties of fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate?
fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate has a molecular weight of 370.72 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[5-chloro-6-[(2-methyl-1,3-oxazol-5-yl)methoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoate is sourced from PubChem (CID 131968395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).