methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate

C18H15FN2O3 — CID 143434209

IUPACmethyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
SMILESC=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccccc2F)noc1C
InChIInChI=1S/C18H15FN2O3/c1-10(12-8-15(20-9-12)18(22)23-3)16-11(2)24-21-17(16)13-6-4-5-7-14(13)19/h4-9,20H,1H2,2-3H3
InChIKeyUQEDDGQVJIXBSL-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.97
Rot. Bonds4

About methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate

methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate (PubChem CID 143434209) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
PubChem CID143434209
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
SMILESC=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccccc2F)noc1C
InChIInChI=1S/C18H15FN2O3/c1-10(12-8-15(20-9-12)18(22)23-3)16-11(2)24-21-17(16)13-6-4-5-7-14(13)19/h4-9,20H,1H2,2-3H3
InChIKeyUQEDDGQVJIXBSL-UHFFFAOYSA-N
XLogP3.97
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate (CID 143434209) is methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate is C=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccccc2F)noc1C.
What is the InChIKey of methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The InChIKey is UQEDDGQVJIXBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10(12-8-15(20-9-12)18(22)23-3)16-11(2)24-21-17(16)13-6-4-5-7-14(13)19/h4-9,20H,1H2,2-3H3.
What are the key properties of methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 143434209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).