ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole

C18H19FN2O — CID 142226019

IUPACethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole
SMILESCC.Cc1ccncc1-c1nc(-c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H13FN2O.C2H6/c1-10-7-8-18-9-14(10)16-19-15(11(2)20-16)12-3-5-13(17)6-4-12;1-2/h3-9H,1-2H3;1-2H3
InChIKeyFVYACVIIYCANOW-UHFFFAOYSA-N
MW298.36 g/mol
LogP5.19
Rot. Bonds2

About ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole

ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole (PubChem CID 142226019) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole
PubChem CID142226019
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Nameethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole
SMILESCC.Cc1ccncc1-c1nc(-c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H13FN2O.C2H6/c1-10-7-8-18-9-14(10)16-19-15(11(2)20-16)12-3-5-13(17)6-4-12;1-2/h3-9H,1-2H3;1-2H3
InChIKeyFVYACVIIYCANOW-UHFFFAOYSA-N
XLogP5.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole?
The IUPAC name of ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole (CID 142226019) is ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole?
The canonical SMILES for ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole is CC.Cc1ccncc1-c1nc(-c2ccc(F)cc2)c(C)o1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole?
The InChIKey is FVYACVIIYCANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.C2H6/c1-10-7-8-18-9-14(10)16-19-15(11(2)20-16)12-3-5-13(17)6-4-12;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole?
ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole has a molecular weight of 298.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 142226019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).