2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline

C14H11ClN2O — CID 81433113

IUPAC2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C14H11ClN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3
InChIKeyINPWGYPVKSHXFK-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.19
Rot. Bonds2

About 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline

2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline (PubChem CID 81433113) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline
PubChem CID81433113
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C14H11ClN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3
InChIKeyINPWGYPVKSHXFK-UHFFFAOYSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline (CID 81433113) is 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline is CNc1ccccc1-c1nc2cccc(Cl)c2o1.
What is the InChIKey of 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline?
The InChIKey is INPWGYPVKSHXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3.
What are the key properties of 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline?
2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline has a molecular weight of 258.71 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline is sourced from PubChem (CID 81433113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).