4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C18H16ClF2NO2 — CID 139713611

IUPAC4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1
InChIInChI=1S/C18H16ClF2NO2/c1-2-8-23-11-6-7-12(13(19)9-11)16-10-24-18(22-16)17-14(20)4-3-5-15(17)21/h3-7,9,16H,2,8,10H2,1H3
InChIKeyJGYHHQCCILTFGU-UHFFFAOYSA-N
MW351.78 g/mol
LogP4.93
Rot. Bonds5

About 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139713611) has the molecular formula C18H16ClF2NO2 and a molecular weight of 351.78 g/mol. Its IUPAC name is 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID139713611
Molecular FormulaC18H16ClF2NO2
Molecular Weight351.78 g/mol
Exact Mass351.08
IUPAC Name4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1
InChIInChI=1S/C18H16ClF2NO2/c1-2-8-23-11-6-7-12(13(19)9-11)16-10-24-18(22-16)17-14(20)4-3-5-15(17)21/h3-7,9,16H,2,8,10H2,1H3
InChIKeyJGYHHQCCILTFGU-UHFFFAOYSA-N
XLogP4.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 139713611) is 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JGYHHQCCILTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO2/c1-2-8-23-11-6-7-12(13(19)9-11)16-10-24-18(22-16)17-14(20)4-3-5-15(17)21/h3-7,9,16H,2,8,10H2,1H3.
What are the key properties of 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 351.78 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139713611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).