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

C16H14FN3O4 — CID 66643834

IUPACmethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)n[nH]1
InChIInChI=1S/C16H14FN3O4/c1-9-12(8-23-14-7-13(18-19-14)16(21)22-2)15(20-24-9)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGOPHJZOCLYPDHW-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.88
Rot. Bonds5

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

methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate (PubChem CID 66643834) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
PubChem CID66643834
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Namemethyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)n[nH]1
InChIInChI=1S/C16H14FN3O4/c1-9-12(8-23-14-7-13(18-19-14)16(21)22-2)15(20-24-9)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGOPHJZOCLYPDHW-UHFFFAOYSA-N
XLogP2.88
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate (CID 66643834) is methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate is COC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2C)n[nH]1.
What is the InChIKey of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate?
The InChIKey is GOPHJZOCLYPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-9-12(8-23-14-7-13(18-19-14)16(21)22-2)15(20-24-9)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate?
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate has a molecular weight of 331.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 66643834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).