[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine

C14H14FN5O — CID 115288886

IUPAC[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc(Cc3cccc(F)c3)no2)cn1
InChIInChI=1S/C14H14FN5O/c1-20-8-10(7-17-20)13(16)14-18-12(19-21-14)6-9-3-2-4-11(15)5-9/h2-5,7-8,13H,6,16H2,1H3
InChIKeyOPPIJJHSNCOQEH-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.58
Rot. Bonds4

About [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine

[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115288886) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
PubChem CID115288886
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc(Cc3cccc(F)c3)no2)cn1
InChIInChI=1S/C14H14FN5O/c1-20-8-10(7-17-20)13(16)14-18-12(19-21-14)6-9-3-2-4-11(15)5-9/h2-5,7-8,13H,6,16H2,1H3
InChIKeyOPPIJJHSNCOQEH-UHFFFAOYSA-N
XLogP1.58
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115288903
[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288896
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61219332
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63771999
[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 112754191
(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894582
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288859
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289693
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine (CID 115288886) is [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc(Cc3cccc(F)c3)no2)cn1.
What is the InChIKey of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is OPPIJJHSNCOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-20-8-10(7-17-20)13(16)14-18-12(19-21-14)6-9-3-2-4-11(15)5-9/h2-5,7-8,13H,6,16H2,1H3.
What are the key properties of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 287.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115288886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).