3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline

C18H13F2N5O — CID 167912532

IUPAC3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline
SMILESFc1cccc(-c2nnc(CNc3ccc(-n4cccn4)c(F)c3)o2)c1
InChIInChI=1S/C18H13F2N5O/c19-13-4-1-3-12(9-13)18-24-23-17(26-18)11-21-14-5-6-16(15(20)10-14)25-8-2-7-22-25/h1-10,21H,11H2
InChIKeyOXOGCZLJHLDOPK-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.81
Rot. Bonds5

About 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline

3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline (PubChem CID 167912532) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline
PubChem CID167912532
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline
SMILESFc1cccc(-c2nnc(CNc3ccc(-n4cccn4)c(F)c3)o2)c1
InChIInChI=1S/C18H13F2N5O/c19-13-4-1-3-12(9-13)18-24-23-17(26-18)11-21-14-5-6-16(15(20)10-14)25-8-2-7-22-25/h1-10,21H,11H2
InChIKeyOXOGCZLJHLDOPK-UHFFFAOYSA-N
XLogP3.81
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
CID 75426714
2,4-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870586
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline
CID 71922371
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
4-tert-butyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651876
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 82127841
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)aniline
CID 78795445
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399
3,4-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652105
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
3-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652698

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline (CID 167912532) is 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline is Fc1cccc(-c2nnc(CNc3ccc(-n4cccn4)c(F)c3)o2)c1.
What is the InChIKey of 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline?
The InChIKey is OXOGCZLJHLDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-13-4-1-3-12(9-13)18-24-23-17(26-18)11-21-14-5-6-16(15(20)10-14)25-8-2-7-22-25/h1-10,21H,11H2.
What are the key properties of 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline?
3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline has a molecular weight of 353.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 167912532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).