2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane

C18H19Cl2NO — CID 166119017

IUPAC2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
SMILESCC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOCMFWJXPTMYEFB-UHFFFAOYSA-N
MW336.26 g/mol
LogP6.95
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane

2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane (PubChem CID 166119017) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
PubChem CID166119017
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
SMILESCC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOCMFWJXPTMYEFB-UHFFFAOYSA-N
XLogP6.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane 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 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane (CID 166119017) is 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane is CC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The InChIKey is OCMFWJXPTMYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane has a molecular weight of 336.26 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane is sourced from PubChem (CID 166119017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).