1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine

C16H10Cl2N4O — CID 10641219

IUPAC1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
SMILESClc1ccc(/C=N/c2nonc2/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10Cl2N4O/c17-13-5-1-11(2-6-13)9-19-15-16(22-23-21-15)20-10-12-3-7-14(18)8-4-12/h1-10H/b19-9+,20-10+
InChIKeySYWVLFWNIWRPSD-LQGKIZFRSA-N
MW345.19 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine

1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine (PubChem CID 10641219) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
PubChem CID10641219
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
SMILESClc1ccc(/C=N/c2nonc2/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10Cl2N4O/c17-13-5-1-11(2-6-13)9-19-15-16(22-23-21-15)20-10-12-3-7-14(18)8-4-12/h1-10H/b19-9+,20-10+
InChIKeySYWVLFWNIWRPSD-LQGKIZFRSA-N
XLogP4.88
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine (CID 10641219) is 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine is Clc1ccc(/C=N/c2nonc2/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine?
The InChIKey is SYWVLFWNIWRPSD-LQGKIZFRSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c17-13-5-1-11(2-6-13)9-19-15-16(22-23-21-15)20-10-12-3-7-14(18)8-4-12/h1-10H/b19-9+,20-10+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine?
1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine has a molecular weight of 345.19 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine is sourced from PubChem (CID 10641219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).