2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C16H13Cl2NO2 — CID 18547176

IUPAC2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2COC(c3ccc(Cl)c(Cl)c3)=N2)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-20-12-5-2-10(3-6-12)15-9-21-16(19-15)11-4-7-13(17)14(18)8-11/h2-8,15H,9H2,1H3
InChIKeyJEQZHTWLAYGADE-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.52
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 18547176) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID18547176
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2COC(c3ccc(Cl)c(Cl)c3)=N2)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-20-12-5-2-10(3-6-12)15-9-21-16(19-15)11-4-7-13(17)14(18)8-11/h2-8,15H,9H2,1H3
InChIKeyJEQZHTWLAYGADE-UHFFFAOYSA-N
XLogP4.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 18547176) is 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2COC(c3ccc(Cl)c(Cl)c3)=N2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JEQZHTWLAYGADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-20-12-5-2-10(3-6-12)15-9-21-16(19-15)11-4-7-13(17)14(18)8-11/h2-8,15H,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 322.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18547176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).