(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine

C17H14Cl2N2O2 — CID 10315775

IUPAC(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine
SMILESO/N=C(\CC1=NOC(c2cccc(Cl)c2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-1-3-11(7-13)16(20-22)9-15-10-17(23-21-15)12-4-2-6-14(19)8-12/h1-8,17,22H,9-10H2/b20-16+
InChIKeyGQZSIXUMIANTHV-CAPFRKAQSA-N
MW349.22 g/mol
LogP5.08
Rot. Bonds4

About (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine

(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine (PubChem CID 10315775) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine
PubChem CID10315775
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine
SMILESO/N=C(\CC1=NOC(c2cccc(Cl)c2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-1-3-11(7-13)16(20-22)9-15-10-17(23-21-15)12-4-2-6-14(19)8-12/h1-8,17,22H,9-10H2/b20-16+
InChIKeyGQZSIXUMIANTHV-CAPFRKAQSA-N
XLogP5.08
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine (CID 10315775) is (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine is O/N=C(\CC1=NOC(c2cccc(Cl)c2)C1)c1cccc(Cl)c1.
What is the InChIKey of (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine?
The InChIKey is GQZSIXUMIANTHV-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-5-1-3-11(7-13)16(20-22)9-15-10-17(23-21-15)12-4-2-6-14(19)8-12/h1-8,17,22H,9-10H2/b20-16+.
What are the key properties of (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine?
(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine has a molecular weight of 349.22 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 10315775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).