(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol

C16H14Cl2FNO2 — CID 146291534

IUPAC(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol
SMILESOC/C(F)=C1\CCCc2onc(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H14Cl2FNO2/c17-10-5-4-9(12(18)7-10)6-14-16-11(13(19)8-21)2-1-3-15(16)22-20-14/h4-5,7,21H,1-3,6,8H2/b13-11-
InChIKeyNKMZLQBCRQNTFH-QBFSEMIESA-N
MW342.20 g/mol
LogP4.58
Rot. Bonds3

About (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol

(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol (PubChem CID 146291534) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol.

Molecular Properties

Compound Name(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol
PubChem CID146291534
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol
SMILESOC/C(F)=C1\CCCc2onc(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H14Cl2FNO2/c17-10-5-4-9(12(18)7-10)6-14-16-11(13(19)8-21)2-1-3-15(16)22-20-14/h4-5,7,21H,1-3,6,8H2/b13-11-
InChIKeyNKMZLQBCRQNTFH-QBFSEMIESA-N
XLogP4.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol?
The IUPAC name of (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol (CID 146291534) is (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol.
What is the SMILES notation for (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol?
The canonical SMILES for (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol is OC/C(F)=C1\CCCc2onc(Cc3ccc(Cl)cc3Cl)c21.
What is the InChIKey of (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol?
The InChIKey is NKMZLQBCRQNTFH-QBFSEMIESA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-10-5-4-9(12(18)7-10)6-14-16-11(13(19)8-21)2-1-3-15(16)22-20-14/h4-5,7,21H,1-3,6,8H2/b13-11-.
What are the key properties of (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol?
(2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol has a molecular weight of 342.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]-2-fluoroethanol is sourced from PubChem (CID 146291534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).