(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one

C14H14N2O2 — CID 108935975

IUPAC(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCC2)=N/C1=C/c1ccncc1
InChIInChI=1S/C14H14N2O2/c17-14-12(9-10-5-7-15-8-6-10)16-13(18-14)11-3-1-2-4-11/h5-9,11H,1-4H2/b12-9+
InChIKeyZZJBKWVSTAXWBZ-FMIVXFBMSA-N
MW242.28 g/mol
LogP2.57
Rot. Bonds2

About (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one

(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 108935975) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
PubChem CID108935975
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCC2)=N/C1=C/c1ccncc1
InChIInChI=1S/C14H14N2O2/c17-14-12(9-10-5-7-15-8-6-10)16-13(18-14)11-3-1-2-4-11/h5-9,11H,1-4H2/b12-9+
InChIKeyZZJBKWVSTAXWBZ-FMIVXFBMSA-N
XLogP2.57
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-cyclopropyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935933
4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
CID 2839077
(4Z)-2-cyclohexyl-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 818189
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
[4-[(Z)-(2-cyclohexyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
CID 867110
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-1,3-oxazol-5-one
CID 6952318
(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936182
(4E)-2-cyclobutyl-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937753
(4E)-2-cyclopentyl-4-[(3-ethyl-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937585
(4E)-2-methyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935930
(4Z)-2-methyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 13428199
(4Z)-2-cyclohexyl-4-[(2,4-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937482

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one (CID 108935975) is (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(C2CCCC2)=N/C1=C/c1ccncc1.
What is the InChIKey of (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is ZZJBKWVSTAXWBZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14-12(9-10-5-7-15-8-6-10)16-13(18-14)11-3-1-2-4-11/h5-9,11H,1-4H2/b12-9+.
What are the key properties of (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one?
(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 242.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 108935975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).