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

C17H15FN2O3 — CID 8879708

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate
SMILESCc1c(COC(=O)c2cccn2C)noc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c1-11-14(10-22-17(21)15-4-3-9-20(15)2)19-23-16(11)12-5-7-13(18)8-6-12/h3-9H,10H2,1-2H3
InChIKeyBATUTFVLIMPAPF-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.48
Rot. Bonds4

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

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate (PubChem CID 8879708) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate
PubChem CID8879708
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate
SMILESCc1c(COC(=O)c2cccn2C)noc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c1-11-14(10-22-17(21)15-4-3-9-20(15)2)19-23-16(11)12-5-7-13(18)8-6-12/h3-9H,10H2,1-2H3
InChIKeyBATUTFVLIMPAPF-UHFFFAOYSA-N
XLogP3.48
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate (CID 8879708) is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate is Cc1c(COC(=O)c2cccn2C)noc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate?
The InChIKey is BATUTFVLIMPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-11-14(10-22-17(21)15-4-3-9-20(15)2)19-23-16(11)12-5-7-13(18)8-6-12/h3-9H,10H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate?
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 8879708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).