[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol

C16H18FN3O2 — CID 57186695

IUPAC[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol
SMILESCCC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO
InChIInChI=1S/C16H18FN3O2/c1-2-13-10-22-16(20(13)11-21)15-7-8-19(18-15)9-12-5-3-4-6-14(12)17/h3-8,10,16,21H,2,9,11H2,1H3
InChIKeyRWODEYHKWWTKIK-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.60
Rot. Bonds5

About [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol

[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol (PubChem CID 57186695) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol
PubChem CID57186695
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol
SMILESCCC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO
InChIInChI=1S/C16H18FN3O2/c1-2-13-10-22-16(20(13)11-21)15-7-8-19(18-15)9-12-5-3-4-6-14(12)17/h3-8,10,16,21H,2,9,11H2,1H3
InChIKeyRWODEYHKWWTKIK-UHFFFAOYSA-N
XLogP2.60
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol?
The IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol (CID 57186695) is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol is CCC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO.
What is the InChIKey of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol?
The InChIKey is RWODEYHKWWTKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-13-10-22-16(20(13)11-21)15-7-8-19(18-15)9-12-5-3-4-6-14(12)17/h3-8,10,16,21H,2,9,11H2,1H3.
What are the key properties of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol?
[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol has a molecular weight of 303.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol is sourced from PubChem (CID 57186695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).