2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole

C12H11Cl2NO — CID 119031150

IUPAC2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole
SMILESC=C1OC(c2cc(Cl)cc(Cl)c2)=NC1(C)C
InChIInChI=1S/C12H11Cl2NO/c1-7-12(2,3)15-11(16-7)8-4-9(13)6-10(14)5-8/h4-6H,1H2,2-3H3
InChIKeyNUHZEWAYELBUEX-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.06
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole

2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole (PubChem CID 119031150) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole
PubChem CID119031150
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole
SMILESC=C1OC(c2cc(Cl)cc(Cl)c2)=NC1(C)C
InChIInChI=1S/C12H11Cl2NO/c1-7-12(2,3)15-11(16-7)8-4-9(13)6-10(14)5-8/h4-6H,1H2,2-3H3
InChIKeyNUHZEWAYELBUEX-UHFFFAOYSA-N
XLogP4.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole (CID 119031150) is 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole is C=C1OC(c2cc(Cl)cc(Cl)c2)=NC1(C)C.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole?
The InChIKey is NUHZEWAYELBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7-12(2,3)15-11(16-7)8-4-9(13)6-10(14)5-8/h4-6H,1H2,2-3H3.
What are the key properties of 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole?
2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole has a molecular weight of 256.13 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole is sourced from PubChem (CID 119031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).