2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole

C23H20F2N2O — CID 18755937

IUPAC2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C23H20F2N2O/c1-2-4-18-12-11-17(13-26-18)15-7-9-16(10-8-15)21-14-28-23(27-21)22-19(24)5-3-6-20(22)25/h3,5-13,21H,2,4,14H2,1H3
InChIKeyDJRJOCPWOBWDGH-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.50
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 18755937) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID18755937
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C23H20F2N2O/c1-2-4-18-12-11-17(13-26-18)15-7-9-16(10-8-15)21-14-28-23(27-21)22-19(24)5-3-6-20(22)25/h3,5-13,21H,2,4,14H2,1H3
InChIKeyDJRJOCPWOBWDGH-UHFFFAOYSA-N
XLogP5.50
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 18755937) is 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole is CCCc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DJRJOCPWOBWDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-2-4-18-12-11-17(13-26-18)15-7-9-16(10-8-15)21-14-28-23(27-21)22-19(24)5-3-6-20(22)25/h3,5-13,21H,2,4,14H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 378.42 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(6-propyl-3-pyridinyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18755937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).