2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H15F2N5O — CID 154769846

IUPAC2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)n1
InChIInChI=1S/C15H15F2N5O/c1-21(2)7-8-22-6-5-13(19-22)15-18-14(20-23-15)10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFJODVUMCABQDFW-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.44
Rot. Bonds5

About 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 154769846) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID154769846
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)n1
InChIInChI=1S/C15H15F2N5O/c1-21(2)7-8-22-6-5-13(19-22)15-18-14(20-23-15)10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFJODVUMCABQDFW-UHFFFAOYSA-N
XLogP2.44
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 154769846) is 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)n1.
What is the InChIKey of 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is FJODVUMCABQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c1-21(2)7-8-22-6-5-13(19-22)15-18-14(20-23-15)10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 319.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 154769846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).