5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one

C15H10BrClN2O3 — CID 18456853

IUPAC5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)o1
InChIInChI=1S/C15H10BrClN2O3/c16-10-2-1-3-11(8-10)21-13-6-9(4-5-12(13)17)7-14-18-19-15(20)22-14/h1-6,8H,7H2,(H,19,20)
InChIKeyQDAOBHRTBUFXHG-UHFFFAOYSA-N
MW381.61 g/mol
LogP4.16
Rot. Bonds4

About 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one

5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 18456853) has the molecular formula C15H10BrClN2O3 and a molecular weight of 381.61 g/mol. Its IUPAC name is 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID18456853
Molecular FormulaC15H10BrClN2O3
Molecular Weight381.61 g/mol
Exact Mass379.96
IUPAC Name5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)o1
InChIInChI=1S/C15H10BrClN2O3/c16-10-2-1-3-11(8-10)21-13-6-9(4-5-12(13)17)7-14-18-19-15(20)22-14/h1-6,8H,7H2,(H,19,20)
InChIKeyQDAOBHRTBUFXHG-UHFFFAOYSA-N
XLogP4.16
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one (CID 18456853) is 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)o1.
What is the InChIKey of 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QDAOBHRTBUFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O3/c16-10-2-1-3-11(8-10)21-13-6-9(4-5-12(13)17)7-14-18-19-15(20)22-14/h1-6,8H,7H2,(H,19,20).
What are the key properties of 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 381.61 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18456853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).