(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone

C21H14Cl2FN3O3 — CID 1475756

IUPAC(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone
SMILESCn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H14Cl2FN3O3/c1-27-10-12(20(28)16-7-2-13(22)9-17(16)23)8-18(27)21-26-25-19(30-21)11-29-15-5-3-14(24)4-6-15/h2-10H,11H2,1H3
InChIKeyWAALRDXPAKBQIB-UHFFFAOYSA-N
MW446.27 g/mol
LogP5.33
Rot. Bonds6

About (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone

(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone (PubChem CID 1475756) has the molecular formula C21H14Cl2FN3O3 and a molecular weight of 446.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone
PubChem CID1475756
Molecular FormulaC21H14Cl2FN3O3
Molecular Weight446.27 g/mol
Exact Mass445.04
IUPAC Name(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone
SMILESCn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H14Cl2FN3O3/c1-27-10-12(20(28)16-7-2-13(22)9-17(16)23)8-18(27)21-26-25-19(30-21)11-29-15-5-3-14(24)4-6-15/h2-10H,11H2,1H3
InChIKeyWAALRDXPAKBQIB-UHFFFAOYSA-N
XLogP5.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.27
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone (CID 1475756) is (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone is Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1.
What is the InChIKey of (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone?
The InChIKey is WAALRDXPAKBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O3/c1-27-10-12(20(28)16-7-2-13(22)9-17(16)23)8-18(27)21-26-25-19(30-21)11-29-15-5-3-14(24)4-6-15/h2-10H,11H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone?
(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone has a molecular weight of 446.27 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone is sourced from PubChem (CID 1475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).