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

C19H18N2O4 — CID 89366272

IUPACmethyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
SMILESC=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C19H18N2O4/c1-11(14-9-16(20-10-14)19(22)24-4)17-12(2)25-21-18(17)13-5-7-15(23-3)8-6-13/h5-10,20H,1H2,2-4H3
InChIKeyAXHUVEZNFHIGOC-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.83
Rot. Bonds5

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

methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate (PubChem CID 89366272) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
PubChem CID89366272
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
SMILESC=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C19H18N2O4/c1-11(14-9-16(20-10-14)19(22)24-4)17-12(2)25-21-18(17)13-5-7-15(23-3)8-6-13/h5-10,20H,1H2,2-4H3
InChIKeyAXHUVEZNFHIGOC-UHFFFAOYSA-N
XLogP3.83
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate (CID 89366272) is methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate is C=C(c1c[nH]c(C(=O)OC)c1)c1c(-c2ccc(OC)cc2)noc1C.
What is the InChIKey of methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
The InChIKey is AXHUVEZNFHIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(14-9-16(20-10-14)19(22)24-4)17-12(2)25-21-18(17)13-5-7-15(23-3)8-6-13/h5-10,20H,1H2,2-4H3.
What are the key properties of methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate?
methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 89366272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).