(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane

C16H19NO5 — CID 124779568

IUPAC(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane
SMILESO=[N+]([O-])c1ccc(/C=C2\CO[C@H](O[C@H]3CCCCO3)C2)cc1
InChIInChI=1S/C16H19NO5/c18-17(19)14-6-4-12(5-7-14)9-13-10-16(21-11-13)22-15-3-1-2-8-20-15/h4-7,9,15-16H,1-3,8,10-11H2/b13-9-/t15-,16+/m0/s1
InChIKeyNZROKMRYKRUECN-KTDOTMJKSA-N
MW305.33 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane

(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane (PubChem CID 124779568) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane
PubChem CID124779568
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane
SMILESO=[N+]([O-])c1ccc(/C=C2\CO[C@H](O[C@H]3CCCCO3)C2)cc1
InChIInChI=1S/C16H19NO5/c18-17(19)14-6-4-12(5-7-14)9-13-10-16(21-11-13)22-15-3-1-2-8-20-15/h4-7,9,15-16H,1-3,8,10-11H2/b13-9-/t15-,16+/m0/s1
InChIKeyNZROKMRYKRUECN-KTDOTMJKSA-N
XLogP3.27
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane
CID 24776865
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
2-(3,5-dinitrophenoxy)oxane
CID 71368751
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
4-(4-hydroxyphenyl)sulfonylphenol;2-(oxan-2-yloxy)oxane
CID 67679889
2-[4-[(Z)-1-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-en-2-yl]phenoxy]oxane
CID 11526597
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
(3E,7E)-3,7-bis[(4-nitrophenyl)methylidene]cycloheptane-1,2-dione
CID 6176725
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696
(4-nitrophenyl)methyl 3-(oxan-2-yl)-3-oxopropanoate
CID 21253099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane?
The IUPAC name of (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane (CID 124779568) is (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane.
What is the SMILES notation for (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane?
The canonical SMILES for (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane is O=[N+]([O-])c1ccc(/C=C2\CO[C@H](O[C@H]3CCCCO3)C2)cc1.
What is the InChIKey of (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane?
The InChIKey is NZROKMRYKRUECN-KTDOTMJKSA-N. The full InChI is InChI=1S/C16H19NO5/c18-17(19)14-6-4-12(5-7-14)9-13-10-16(21-11-13)22-15-3-1-2-8-20-15/h4-7,9,15-16H,1-3,8,10-11H2/b13-9-/t15-,16+/m0/s1.
What are the key properties of (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane?
(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane has a molecular weight of 305.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane is sourced from PubChem (CID 124779568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).