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

C19H14FN3O — CID 56730846

IUPAC5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)on1
InChIInChI=1S/C19H14FN3O/c1-13-11-18(24-22-13)17-12-23(16-5-3-2-4-6-16)21-19(17)14-7-9-15(20)10-8-14/h2-12H,1H3
InChIKeyANQDMMIZQBHPQJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.64
Rot. Bonds3

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

5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole (PubChem CID 56730846) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
PubChem CID56730846
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)on1
InChIInChI=1S/C19H14FN3O/c1-13-11-18(24-22-13)17-12-23(16-5-3-2-4-6-16)21-19(17)14-7-9-15(20)10-8-14/h2-12H,1H3
InChIKeyANQDMMIZQBHPQJ-UHFFFAOYSA-N
XLogP4.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-3-yl]-1-isoxazol-3-yl-heptan-1-one
CID 155925021
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580287
3-(2-chloro-5-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580288
3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580289
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 156010930
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
5-cyclohexyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220610
N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 146220630
5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220662

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole (CID 56730846) is 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)on1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is ANQDMMIZQBHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-13-11-18(24-22-13)17-12-23(16-5-3-2-4-6-16)21-19(17)14-7-9-15(20)10-8-14/h2-12H,1H3.
What are the key properties of 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 319.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 56730846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).