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

C18H15Cl2F2NO2 — CID 139794187

IUPAC4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCOc1cc(Cl)c(Cl)cc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C18H15Cl2F2NO2/c1-2-6-24-16-8-12(20)11(19)7-10(16)15-9-25-18(23-15)17-13(21)4-3-5-14(17)22/h3-5,7-8,15H,2,6,9H2,1H3
InChIKeyPDKSMQXULDRFIO-UHFFFAOYSA-N
MW386.23 g/mol
LogP5.58
Rot. Bonds5

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

4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139794187) has the molecular formula C18H15Cl2F2NO2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID139794187
Molecular FormulaC18H15Cl2F2NO2
Molecular Weight386.23 g/mol
Exact Mass385.04
IUPAC Name4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCOc1cc(Cl)c(Cl)cc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C18H15Cl2F2NO2/c1-2-6-24-16-8-12(20)11(19)7-10(16)15-9-25-18(23-15)17-13(21)4-3-5-14(17)22/h3-5,7-8,15H,2,6,9H2,1H3
InChIKeyPDKSMQXULDRFIO-UHFFFAOYSA-N
XLogP5.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 139794187) is 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CCCOc1cc(Cl)c(Cl)cc1C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PDKSMQXULDRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2NO2/c1-2-6-24-16-8-12(20)11(19)7-10(16)15-9-25-18(23-15)17-13(21)4-3-5-14(17)22/h3-5,7-8,15H,2,6,9H2,1H3.
What are the key properties of 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 386.23 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-2-propoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139794187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).