5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline

C14H10Cl2N2O — CID 736272

IUPAC5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N
InChIInChI=1S/C14H10Cl2N2O/c1-7-2-3-8(4-11(7)17)14-18-12-6-9(15)5-10(16)13(12)19-14/h2-6H,17H2,1H3
InChIKeyLEFTXXDIDKDWLL-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.69
Rot. Bonds1

About 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline

5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline (PubChem CID 736272) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
PubChem CID736272
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N
InChIInChI=1S/C14H10Cl2N2O/c1-7-2-3-8(4-11(7)17)14-18-12-6-9(15)5-10(16)13(12)19-14/h2-6H,17H2,1H3
InChIKeyLEFTXXDIDKDWLL-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.69
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 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline (CID 736272) is 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline is Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N.
What is the InChIKey of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The InChIKey is LEFTXXDIDKDWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-7-2-3-8(4-11(7)17)14-18-12-6-9(15)5-10(16)13(12)19-14/h2-6H,17H2,1H3.
What are the key properties of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline?
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline has a molecular weight of 293.15 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline is sourced from PubChem (CID 736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).