[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate

C16H14FN3O3 — CID 21314315

IUPAC[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
SMILESCc1cc(OC(=O)c2ncco2)n(C(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O3/c1-10-9-14(23-16(21)15-18-7-8-22-15)20(19-10)11(2)12-3-5-13(17)6-4-12/h3-9,11H,1-2H3
InChIKeyMHCOECPXQUPTGG-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.15
Rot. Bonds4

About [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate

[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate (PubChem CID 21314315) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Name[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
PubChem CID21314315
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
SMILESCc1cc(OC(=O)c2ncco2)n(C(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O3/c1-10-9-14(23-16(21)15-18-7-8-22-15)20(19-10)11(2)12-3-5-13(17)6-4-12/h3-9,11H,1-2H3
InChIKeyMHCOECPXQUPTGG-UHFFFAOYSA-N
XLogP3.15
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The IUPAC name of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate (CID 21314315) is [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate.
What is the SMILES notation for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The canonical SMILES for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate is Cc1cc(OC(=O)c2ncco2)n(C(C)c2ccc(F)cc2)n1.
What is the InChIKey of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The InChIKey is MHCOECPXQUPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-10-9-14(23-16(21)15-18-7-8-22-15)20(19-10)11(2)12-3-5-13(17)6-4-12/h3-9,11H,1-2H3.
What are the key properties of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate has a molecular weight of 315.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate is sourced from PubChem (CID 21314315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).