2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline

C11H13ClN2O — CID 121223809

IUPAC2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
SMILESCC1(C)COC(c2cccc(Cl)c2N)=N1
InChIInChI=1S/C11H13ClN2O/c1-11(2)6-15-10(14-11)7-4-3-5-8(12)9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyPILSDMMNUMFHDS-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.48
Rot. Bonds1

About 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline

2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline (PubChem CID 121223809) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
PubChem CID121223809
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
SMILESCC1(C)COC(c2cccc(Cl)c2N)=N1
InChIInChI=1S/C11H13ClN2O/c1-11(2)6-15-10(14-11)7-4-3-5-8(12)9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyPILSDMMNUMFHDS-UHFFFAOYSA-N
XLogP2.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline (CID 121223809) is 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline is CC1(C)COC(c2cccc(Cl)c2N)=N1.
What is the InChIKey of 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The InChIKey is PILSDMMNUMFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-11(2)6-15-10(14-11)7-4-3-5-8(12)9(7)13/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline has a molecular weight of 224.69 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 121223809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).