(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one

C15H18N2O4 — CID 122192987

IUPAC(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one
SMILESCCCCCC1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C15H18N2O4/c1-2-3-4-5-14-16-15(18)13(21-14)10-11-6-8-12(9-7-11)17(19)20/h6-10,14H,2-5H2,1H3,(H,16,18)/b13-10-
InChIKeyZEJRWXDKVVUGHT-RAXLEYEMSA-N
MW290.32 g/mol
LogP2.99
Rot. Bonds6

About (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one

(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one (PubChem CID 122192987) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one
PubChem CID122192987
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one
SMILESCCCCCC1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C15H18N2O4/c1-2-3-4-5-14-16-15(18)13(21-14)10-11-6-8-12(9-7-11)17(19)20/h6-10,14H,2-5H2,1H3,(H,16,18)/b13-10-
InChIKeyZEJRWXDKVVUGHT-RAXLEYEMSA-N
XLogP2.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

(E)-3-(4-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 5350457
(E)-3-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 5737754
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 5968932
3-(3-Nitro-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acrylamide
CID 5710599
(5Z)-5-[(2-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one
CID 122192984
(S)-4-(4-Nitrobenzyl)oxazolidin-2-one
CID 10353477
trans-5-(4-Nitrobenzylidene)-2,2-dimethyl-1,3-oxazolidin-4-one
CID 132427004
(2E)-N-(2-methoxyethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2271323
(2E)-N-(3-methoxypropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2273279
3-(4-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 2897545
2-Oxazolidinone, 4-[(4-nitrophenyl)methyl]-, (R)-
CID 10353478
4-[(4-Nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 18691552

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one (CID 122192987) is (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one is CCCCCC1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O1.
What is the InChIKey of (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one?
The InChIKey is ZEJRWXDKVVUGHT-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-4-5-14-16-15(18)13(21-14)10-11-6-8-12(9-7-11)17(19)20/h6-10,14H,2-5H2,1H3,(H,16,18)/b13-10-.
What are the key properties of (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one?
(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one has a molecular weight of 290.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 122192987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).