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

C18H12ClFN4O2 — CID 19326414

IUPAC5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccn(COc4cccc(Cl)c4)n3)n2)cc1
InChIInChI=1S/C18H12ClFN4O2/c19-13-2-1-3-15(10-13)25-11-24-9-8-16(22-24)18-21-17(23-26-18)12-4-6-14(20)7-5-12/h1-10H,11H2
InChIKeyDSXPPSFOOQUWKV-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.43
Rot. Bonds5

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

5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326414) has the molecular formula C18H12ClFN4O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326414
Molecular FormulaC18H12ClFN4O2
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC Name5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccn(COc4cccc(Cl)c4)n3)n2)cc1
InChIInChI=1S/C18H12ClFN4O2/c19-13-2-1-3-15(10-13)25-11-24-9-8-16(22-24)18-21-17(23-26-18)12-4-6-14(20)7-5-12/h1-10H,11H2
InChIKeyDSXPPSFOOQUWKV-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

5-[1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326371
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330676
3-[5-[1-[(2,4-dichlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330653
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326416
1-[(3-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19276484
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19392663
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
3-[5-[1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330648

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326414) is 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3ccn(COc4cccc(Cl)c4)n3)n2)cc1.
What is the InChIKey of 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is DSXPPSFOOQUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2/c19-13-2-1-3-15(10-13)25-11-24-9-8-16(22-24)18-21-17(23-26-18)12-4-6-14(20)7-5-12/h1-10H,11H2.
What are the key properties of 5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[1-[(3-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-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).