N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine

C15H14N2O — CID 714174

IUPACN-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2ccccc2o1
InChIInChI=1S/C15H14N2O/c1-10-6-5-7-11(2)14(10)17-15-16-12-8-3-4-9-13(12)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyQLNZRNGQASKYDW-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.19
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine

N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 714174) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine
PubChem CID714174
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2ccccc2o1
InChIInChI=1S/C15H14N2O/c1-10-6-5-7-11(2)14(10)17-15-16-12-8-3-4-9-13(12)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyQLNZRNGQASKYDW-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 ≤ 500238.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine (CID 714174) is N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine is Cc1cccc(C)c1Nc1nc2ccccc2o1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is QLNZRNGQASKYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-6-5-7-11(2)14(10)17-15-16-12-8-3-4-9-13(12)18-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine?
N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 238.29 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 N-(2,6-dimethylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 714174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).