1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol

C18H20FN3O2 — CID 164719140

IUPAC1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)O)cn1
InChIInChI=1S/C18H20FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10,12,23H,4,7H2,1-3H3
InChIKeyARCGCLOYIWHJLG-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol

1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol (PubChem CID 164719140) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol
PubChem CID164719140
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)O)cn1
InChIInChI=1S/C18H20FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10,12,23H,4,7H2,1-3H3
InChIKeyARCGCLOYIWHJLG-UHFFFAOYSA-N
XLogP3.65
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol (CID 164719140) is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)O)cn1.
What is the InChIKey of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol?
The InChIKey is ARCGCLOYIWHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10,12,23H,4,7H2,1-3H3.
What are the key properties of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol?
1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol has a molecular weight of 329.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).