2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile

C19H18N4O4 — CID 26675986

IUPAC2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccccc1CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O4/c20-12-16-3-1-2-4-17(16)14-27-21-13-15-5-6-18(19(11-15)23(24)25)22-7-9-26-10-8-22/h1-6,11,13H,7-10,14H2/b21-13-
InChIKeyOEVGBGLNTNRRTQ-BKUYFWCQSA-N
MW366.38 g/mol
LogP2.85
Rot. Bonds6

About 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile

2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile (PubChem CID 26675986) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
PubChem CID26675986
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccccc1CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O4/c20-12-16-3-1-2-4-17(16)14-27-21-13-15-5-6-18(19(11-15)23(24)25)22-7-9-26-10-8-22/h1-6,11,13H,7-10,14H2/b21-13-
InChIKeyOEVGBGLNTNRRTQ-BKUYFWCQSA-N
XLogP2.85
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxyethanone
CID 7550312
2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 7550395
(2S)-N-benzyl-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxypropanamide
CID 7550433
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide
CID 3682645
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
CID 6282774
[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
CID 135737268
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 6288833
N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
CID 78766659

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile?
The IUPAC name of 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile (CID 26675986) is 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile is N#Cc1ccccc1CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile?
The InChIKey is OEVGBGLNTNRRTQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H18N4O4/c20-12-16-3-1-2-4-17(16)14-27-21-13-15-5-6-18(19(11-15)23(24)25)22-7-9-26-10-8-22/h1-6,11,13H,7-10,14H2/b21-13-.
What are the key properties of 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile?
2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile has a molecular weight of 366.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile is sourced from PubChem (CID 26675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).