5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole

C14H12Cl2N2O3 — CID 10064985

IUPAC5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2c(Cl)cc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C14H12Cl2N2O3/c1-8-4-10(21-18-8)7-20-13-11(15)5-9(6-12(13)16)14-17-2-3-19-14/h4-6H,2-3,7H2,1H3
InChIKeyJUWYDAMEVMCFGI-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.65
Rot. Bonds4

About 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole

5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole (PubChem CID 10064985) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole
PubChem CID10064985
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2c(Cl)cc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C14H12Cl2N2O3/c1-8-4-10(21-18-8)7-20-13-11(15)5-9(6-12(13)16)14-17-2-3-19-14/h4-6H,2-3,7H2,1H3
InChIKeyJUWYDAMEVMCFGI-UHFFFAOYSA-N
XLogP3.65
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole (CID 10064985) is 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole is Cc1cc(COc2c(Cl)cc(C3=NCCO3)cc2Cl)on1.
What is the InChIKey of 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole?
The InChIKey is JUWYDAMEVMCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-8-4-10(21-18-8)7-20-13-11(15)5-9(6-12(13)16)14-17-2-3-19-14/h4-6H,2-3,7H2,1H3.
What are the key properties of 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole?
5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole has a molecular weight of 327.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 10064985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).