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

C11H12FNO — CID 86210295

IUPAC2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H12FNO/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyZETZDSWJOZHGRW-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.19
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 86210295) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID86210295
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H12FNO/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyZETZDSWJOZHGRW-UHFFFAOYSA-N
XLogP2.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole (CID 86210295) is 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole is CC1CN=C(Cc2ccc(F)cc2)O1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZETZDSWJOZHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole?
2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 86210295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).