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

C14H16ClNO2 — CID 54256430

IUPAC3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESCC1(C)OCCN1C(=O)C=Cc1ccc(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
InChIKeyRAKDBHRMFOHVGF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.95
Rot. Bonds2

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

3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 54256430) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID54256430
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESCC1(C)OCCN1C(=O)C=Cc1ccc(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
InChIKeyRAKDBHRMFOHVGF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 54256430) is 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is CC1(C)OCCN1C(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is RAKDBHRMFOHVGF-UHFFFAOYSA-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.
What are the key properties of 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
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 3-(4-chlorophenyl)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 54256430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).