1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine

C15H13F2N3O2 — CID 134001630

IUPAC1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nnc(-c2ccco2)o1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O2/c1-20(8-10-4-5-11(16)7-12(10)17)9-14-18-19-15(22-14)13-3-2-6-21-13/h2-7H,8-9H2,1H3
InChIKeyLIFMDECVTRUZGL-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.24
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine

1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 134001630) has the molecular formula C15H13F2N3O2 and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
PubChem CID134001630
Molecular FormulaC15H13F2N3O2
Molecular Weight305.28 g/mol
Exact Mass305.10
IUPAC Name1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nnc(-c2ccco2)o1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O2/c1-20(8-10-4-5-11(16)7-12(10)17)9-14-18-19-15(22-14)13-3-2-6-21-13/h2-7H,8-9H2,1H3
InChIKeyLIFMDECVTRUZGL-UHFFFAOYSA-N
XLogP3.24
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371766
1-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758335
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 78824184
[2-(2,4-difluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371293
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 134001654
4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118319
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 8796754

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine (CID 134001630) is 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine is CN(Cc1nnc(-c2ccco2)o1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is LIFMDECVTRUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2/c1-20(8-10-4-5-11(16)7-12(10)17)9-14-18-19-15(22-14)13-3-2-6-21-13/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 305.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 134001630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).