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

C17H16FN3O4 — CID 66643823

IUPACmethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)nn1C
InChIInChI=1S/C17H16FN3O4/c1-10-13(16(20-25-10)11-4-6-12(18)7-5-11)9-24-15-8-14(17(22)23-3)21(2)19-15/h4-8H,9H2,1-3H3
InChIKeyGXENSSMADYFRLY-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.89
Rot. Bonds5

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

methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate (PubChem CID 66643823) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
PubChem CID66643823
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Namemethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)nn1C
InChIInChI=1S/C17H16FN3O4/c1-10-13(16(20-25-10)11-4-6-12(18)7-5-11)9-24-15-8-14(17(22)23-3)21(2)19-15/h4-8H,9H2,1-3H3
InChIKeyGXENSSMADYFRLY-UHFFFAOYSA-N
XLogP2.89
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate (CID 66643823) is methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)nn1C.
What is the InChIKey of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate?
The InChIKey is GXENSSMADYFRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-10-13(16(20-25-10)11-4-6-12(18)7-5-11)9-24-15-8-14(17(22)23-3)21(2)19-15/h4-8H,9H2,1-3H3.
What are the key properties of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate?
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate has a molecular weight of 345.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66643823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).