3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

C18H19ClFNO4 — CID 14695639

IUPAC3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC3CCCCC3)c(Cl)cc2F)C1=O
InChIInChI=1S/C18H19ClFNO4/c1-10(2)16-17(22)21(18(23)25-16)14-9-15(12(19)8-13(14)20)24-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyTYGLABWMKYNHOG-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.97
Rot. Bonds3

About 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (PubChem CID 14695639) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
PubChem CID14695639
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC3CCCCC3)c(Cl)cc2F)C1=O
InChIInChI=1S/C18H19ClFNO4/c1-10(2)16-17(22)21(18(23)25-16)14-9-15(12(19)8-13(14)20)24-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyTYGLABWMKYNHOG-UHFFFAOYSA-N
XLogP4.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (CID 14695639) is 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is CC(C)=C1OC(=O)N(c2cc(OC3CCCCC3)c(Cl)cc2F)C1=O.
What is the InChIKey of 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The InChIKey is TYGLABWMKYNHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-10(2)16-17(22)21(18(23)25-16)14-9-15(12(19)8-13(14)20)24-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione has a molecular weight of 367.80 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-cyclohexyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14695639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).