methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C13H11FN2O3 — CID 11780297

IUPACmethyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)11-6-19-12(16-11)10-5-7-4-8(14)2-3-9(7)15-10/h2-5,11,15H,6H2,1H3
InChIKeyZSPCJOBPVBFRIH-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.63
Rot. Bonds2

About methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 11780297) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID11780297
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)11-6-19-12(16-11)10-5-7-4-8(14)2-3-9(7)15-10/h2-5,11,15H,6H2,1H3
InChIKeyZSPCJOBPVBFRIH-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 11780297) is methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(c2cc3cc(F)ccc3[nH]2)=N1.
What is the InChIKey of methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZSPCJOBPVBFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-13(17)11-6-19-12(16-11)10-5-7-4-8(14)2-3-9(7)15-10/h2-5,11,15H,6H2,1H3.
What are the key properties of methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11780297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).