2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

C15H10Cl3N3O — CID 110652526

IUPAC2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESClc1ccc(-c2nnc(CNc3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)15-21-20-13(22-15)8-19-12-3-1-2-11(17)14(12)18/h1-7,19H,8H2
InChIKeyMHDGPVIRYPKMCX-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.31
Rot. Bonds4

About 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 110652526) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID110652526
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC Name2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESClc1ccc(-c2nnc(CNc3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)15-21-20-13(22-15)8-19-12-3-1-2-11(17)14(12)18/h1-7,19H,8H2
InChIKeyMHDGPVIRYPKMCX-UHFFFAOYSA-N
XLogP5.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652461
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110652520
2-fluoro-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651735
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride
CID 127026210
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
CID 110652457
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399
2-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652370
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110652403

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 110652526) is 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is Clc1ccc(-c2nnc(CNc3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is MHDGPVIRYPKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)15-21-20-13(22-15)8-19-12-3-1-2-11(17)14(12)18/h1-7,19H,8H2.
What are the key properties of 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 354.62 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 110652526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).