(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one

C15H17NO2 — CID 155424413

IUPAC(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one
SMILESCCCC/C=C1\N=C(c2cccc(C)c2)OC1=O
InChIInChI=1S/C15H17NO2/c1-3-4-5-9-13-15(17)18-14(16-13)12-8-6-7-11(2)10-12/h6-10H,3-5H2,1-2H3/b13-9-
InChIKeyOLQQVUXOVJGSDW-LCYFTJDESA-N
MW243.31 g/mol
LogP3.37
Rot. Bonds4

About (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one

(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one (PubChem CID 155424413) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one
PubChem CID155424413
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one
SMILESCCCC/C=C1\N=C(c2cccc(C)c2)OC1=O
InChIInChI=1S/C15H17NO2/c1-3-4-5-9-13-15(17)18-14(16-13)12-8-6-7-11(2)10-12/h6-10H,3-5H2,1-2H3/b13-9-
InChIKeyOLQQVUXOVJGSDW-LCYFTJDESA-N
XLogP3.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-butylidene-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 155424397
(4E)-4-[(4-ethylphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 108936191
(4Z)-2-(3-methylphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 683749
(4E)-4-(anthracen-9-ylmethylidene)-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 20834647
4-[(4-tert-butylphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 3103920
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2689805
(4E)-4-[(3-fluorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2203830
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 108937555
(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 6050333
(4E)-2-(3-methylphenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937069
2-(3-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1218979
(4Z)-2-(3-iodophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 1270634

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one (CID 155424413) is (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one is CCCC/C=C1\N=C(c2cccc(C)c2)OC1=O.
What is the InChIKey of (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one?
The InChIKey is OLQQVUXOVJGSDW-LCYFTJDESA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-4-5-9-13-15(17)18-14(16-13)12-8-6-7-11(2)10-12/h6-10H,3-5H2,1-2H3/b13-9-.
What are the key properties of (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one?
(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one has a molecular weight of 243.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one is sourced from PubChem (CID 155424413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).