(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one

C18H21NO4 — CID 6952315

IUPAC(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(/C=C2\N=C(C3CCCCC3)OC2=O)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-10-6-9-13(16(15)22-2)11-14-18(20)23-17(19-14)12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3/b14-11-
InChIKeySEJQWJJSQPPHLM-KAMYIIQDSA-N
MW315.37 g/mol
LogP3.58
Rot. Bonds4

About (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6952315) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6952315
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(/C=C2\N=C(C3CCCCC3)OC2=O)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-10-6-9-13(16(15)22-2)11-14-18(20)23-17(19-14)12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3/b14-11-
InChIKeySEJQWJJSQPPHLM-KAMYIIQDSA-N
XLogP3.58
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-((3-(Acetyloxy)-4-methoxyphenyl)methylene)-2-methyl-5(4H)-oxazolone
CID 5363971
Acetic acid 2-methoxy-4-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester
CID 695240
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 5394887
2-Phenyl-4-piperonylidene-2-oxazolin-5-one
CID 1549879
4-(2,5-Dimethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 689700
(Z)-2-(tert-butyl)-4-(2-methoxybenzylidene)oxazol-5(4H)-one
CID 18558861
2-Methyl-4-(3,4,5-trimethoxy-benzylidene)-4H-oxazol-5-one
CID 1712853
4-(4-Benzyloxy-3-methoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 1520953
4-(2-Methoxybenzylidene)-2-phenyloxazol-5(4H)-one
CID 708904
(Z)-4-(2-Methoxybenzylidene)-2-phenyloxazol-5(4H)-one
CID 708905
4-(2-Methoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 244700
(4Z)-4-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
CID 1712682

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 6952315) is (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1cccc(/C=C2\N=C(C3CCCCC3)OC2=O)c1OC.
What is the InChIKey of (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is SEJQWJJSQPPHLM-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-10-6-9-13(16(15)22-2)11-14-18(20)23-17(19-14)12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3/b14-11-.
What are the key properties of (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 315.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclohexyl-4-[(2,3-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6952315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).