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

C15H12FN3O3 — CID 22769297

IUPAC[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
SMILESCc1cc(OC(=O)c2ncco2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O3/c1-10-8-13(22-15(20)14-17-6-7-21-14)19(18-10)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyBGKBDXSZDRMGOL-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.59
Rot. Bonds4

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

[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate (PubChem CID 22769297) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
PubChem CID22769297
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate
SMILESCc1cc(OC(=O)c2ncco2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O3/c1-10-8-13(22-15(20)14-17-6-7-21-14)19(18-10)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyBGKBDXSZDRMGOL-UHFFFAOYSA-N
XLogP2.59
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate (CID 22769297) is [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate is Cc1cc(OC(=O)c2ncco2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
The InChIKey is BGKBDXSZDRMGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-10-8-13(22-15(20)14-17-6-7-21-14)19(18-10)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate?
[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate has a molecular weight of 301.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl] 1,3-oxazole-2-carboxylate is sourced from PubChem (CID 22769297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).