(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one

C14H16ClNO2 — CID 13364698

IUPAC(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESCC1(C)OCCN1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-14(2)16(9-10-18-14)13(17)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3/b8-5+
InChIKeyRAKDBHRMFOHVGF-VMPITWQZSA-N
MW265.74 g/mol
LogP2.95
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 13364698) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID13364698
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESCC1(C)OCCN1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-14(2)16(9-10-18-14)13(17)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3/b8-5+
InChIKeyRAKDBHRMFOHVGF-VMPITWQZSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, 4-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
CID 692386
(2E)-3-(2-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 5731106
4-[3-(2-Chlorophenyl)acryloyl]morpholine
CID 692525
ethyl 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2285412
Cinnamamide, N,N-bis(2-hydroxyethyl)-4-chloro-
CID 6434089
Cinnamamide, 4-chloro-N-(2-hydroxyethyl)-N-methyl-
CID 6434093
(2E)-3-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 876591
(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide
CID 162662430
(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one
CID 71740979
3-(4-chlorophenyl)-N,N-diethylprop-2-enamide
CID 692371
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11242185
5-(4-Chloro-benzylidene)-3-ethyl-2-thioxo-1,3-oxazolidin-4-one
CID 145706337

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 13364698) is (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is CC1(C)OCCN1C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is RAKDBHRMFOHVGF-VMPITWQZSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-14(2)16(9-10-18-14)13(17)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3/b8-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one has a molecular weight of 265.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 13364698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).