5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C18H12ClFN4O2 — CID 19326416

IUPAC5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccnn3COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H12ClFN4O2/c19-13-3-7-15(8-4-13)25-11-24-16(9-10-21-24)18-22-17(23-26-18)12-1-5-14(20)6-2-12/h1-10H,11H2
InChIKeyWIECZVLEYRCZNI-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.43
Rot. Bonds5

About 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326416) has the molecular formula C18H12ClFN4O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326416
Molecular FormulaC18H12ClFN4O2
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC Name5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccnn3COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H12ClFN4O2/c19-13-3-7-15(8-4-13)25-11-24-16(9-10-21-24)18-22-17(23-26-18)12-1-5-14(20)6-2-12/h1-10H,11H2
InChIKeyWIECZVLEYRCZNI-UHFFFAOYSA-N
XLogP4.43
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332723
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028
5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851419
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326414
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
2-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 19585548
3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 83289211
5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326416) is 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3ccnn3COc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is WIECZVLEYRCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2/c19-13-3-7-15(8-4-13)25-11-24-16(9-10-21-24)18-22-17(23-26-18)12-1-5-14(20)6-2-12/h1-10H,11H2.
What are the key properties of 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 370.77 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).