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

C21H18ClN3O2 — CID 51171811

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
SMILESClc1ccc(-c2nnc(CN(Cc3ccccc3)Cc3ccco3)o2)cc1
InChIInChI=1S/C21H18ClN3O2/c22-18-10-8-17(9-11-18)21-24-23-20(27-21)15-25(14-19-7-4-12-26-19)13-16-5-2-1-3-6-16/h1-12H,13-15H2
InChIKeyXFICQKFQNHRHPY-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.19
Rot. Bonds7

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine (PubChem CID 51171811) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
PubChem CID51171811
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
SMILESClc1ccc(-c2nnc(CN(Cc3ccccc3)Cc3ccco3)o2)cc1
InChIInChI=1S/C21H18ClN3O2/c22-18-10-8-17(9-11-18)21-24-23-20(27-21)15-25(14-19-7-4-12-26-19)13-16-5-2-1-3-6-16/h1-12H,13-15H2
InChIKeyXFICQKFQNHRHPY-UHFFFAOYSA-N
XLogP5.19
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47078030
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 110652412
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
CID 52601883
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
2-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]phenol
CID 78820943

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine (CID 51171811) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine is Clc1ccc(-c2nnc(CN(Cc3ccccc3)Cc3ccco3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is XFICQKFQNHRHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-10-8-17(9-11-18)21-24-23-20(27-21)15-25(14-19-7-4-12-26-19)13-16-5-2-1-3-6-16/h1-12H,13-15H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 379.85 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 51171811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).