N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

C18H18F3N3O2 — CID 8595735

IUPACN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(-c2nnc(CN(C)Cc3ccc(C(F)(F)F)cc3)o2)c(C)o1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-15(12(2)25-11)17-23-22-16(26-17)10-24(3)9-13-4-6-14(7-5-13)18(19,20)21/h4-8H,9-10H2,1-3H3
InChIKeyACNMTILCEMFCEP-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.60
Rot. Bonds5

About N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 8595735) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID8595735
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(-c2nnc(CN(C)Cc3ccc(C(F)(F)F)cc3)o2)c(C)o1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-15(12(2)25-11)17-23-22-16(26-17)10-24(3)9-13-4-6-14(7-5-13)18(19,20)21/h4-8H,9-10H2,1-3H3
InChIKeyACNMTILCEMFCEP-UHFFFAOYSA-N
XLogP4.60
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 8595735) is N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is Cc1cc(-c2nnc(CN(C)Cc3ccc(C(F)(F)F)cc3)o2)c(C)o1.
What is the InChIKey of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ACNMTILCEMFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-8-15(12(2)25-11)17-23-22-16(26-17)10-24(3)9-13-4-6-14(7-5-13)18(19,20)21/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 365.36 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 8595735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).