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

C20H17N3O2 — CID 7614346

IUPACN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine
SMILESc1ccc(C(NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18-22-23-20(25-18)17-12-7-13-24-17/h1-13,19,21H,14H2
InChIKeyQKOTXTGUHNVQBW-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.21
Rot. Bonds6

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

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine (PubChem CID 7614346) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine
PubChem CID7614346
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine
SMILESc1ccc(C(NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18-22-23-20(25-18)17-12-7-13-24-17/h1-13,19,21H,14H2
InChIKeyQKOTXTGUHNVQBW-UHFFFAOYSA-N
XLogP4.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine (CID 7614346) is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine is c1ccc(C(NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine?
The InChIKey is QKOTXTGUHNVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18-22-23-20(25-18)17-12-7-13-24-17/h1-13,19,21H,14H2.
What are the key properties of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine?
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine has a molecular weight of 331.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-diphenylmethanamine is sourced from PubChem (CID 7614346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).