(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine

C18H17ClN6O2 — CID 164577638

IUPAC(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
SMILESCO/N=C(/CO/N=C(/c1ccccc1)c1nnnn1C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN6O2/c1-25-18(20-23-24-25)17(13-8-4-3-5-9-13)22-27-12-16(21-26-2)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3/b21-16-,22-17-
InChIKeySUJLGUSVINYRPN-QLBLWQCWSA-N
MW384.83 g/mol
LogP2.68
Rot. Bonds7

About (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine

(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine (PubChem CID 164577638) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
PubChem CID164577638
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
SMILESCO/N=C(/CO/N=C(/c1ccccc1)c1nnnn1C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN6O2/c1-25-18(20-23-24-25)17(13-8-4-3-5-9-13)22-27-12-16(21-26-2)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3/b21-16-,22-17-
InChIKeySUJLGUSVINYRPN-QLBLWQCWSA-N
XLogP2.68
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine?
The IUPAC name of (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine (CID 164577638) is (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine?
The canonical SMILES for (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine is CO/N=C(/CO/N=C(/c1ccccc1)c1nnnn1C)c1ccccc1Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine?
The InChIKey is SUJLGUSVINYRPN-QLBLWQCWSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-25-18(20-23-24-25)17(13-8-4-3-5-9-13)22-27-12-16(21-26-2)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3/b21-16-,22-17-.
What are the key properties of (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine?
(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine has a molecular weight of 384.83 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine is sourced from PubChem (CID 164577638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).