N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline

C16H15ClN2O — CID 81433660

IUPACN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C16H15ClN2O/c1-11-4-2-3-5-13(11)18-9-8-16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3
InChIKeySOFGQTGSWUGHHK-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.44
Rot. Bonds4

About N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline

N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline (PubChem CID 81433660) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
PubChem CID81433660
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C16H15ClN2O/c1-11-4-2-3-5-13(11)18-9-8-16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3
InChIKeySOFGQTGSWUGHHK-UHFFFAOYSA-N
XLogP4.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline (CID 81433660) is N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCc1nc2ccc(Cl)cc2o1.
What is the InChIKey of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline?
The InChIKey is SOFGQTGSWUGHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-4-2-3-5-13(11)18-9-8-16-19-14-7-6-12(17)10-15(14)20-16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline?
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline has a molecular weight of 286.76 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 81433660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).