2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline

C15H14N2O2 — CID 114764907

IUPAC2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
SMILESCOc1cccc2oc(-c3cccc(C)c3N)nc12
InChIInChI=1S/C15H14N2O2/c1-9-5-3-6-10(13(9)16)15-17-14-11(18-2)7-4-8-12(14)19-15/h3-8H,16H2,1-2H3
InChIKeyZPVNPUXLKWMIEE-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.39
Rot. Bonds2

About 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline

2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline (PubChem CID 114764907) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
PubChem CID114764907
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
SMILESCOc1cccc2oc(-c3cccc(C)c3N)nc12
InChIInChI=1S/C15H14N2O2/c1-9-5-3-6-10(13(9)16)15-17-14-11(18-2)7-4-8-12(14)19-15/h3-8H,16H2,1-2H3
InChIKeyZPVNPUXLKWMIEE-UHFFFAOYSA-N
XLogP3.39
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114764858
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
CID 114764886
2-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
3,4-dimethyl-5-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 63019646
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043
4-chloro-3-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 54909808
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
CID 11149809
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
CID 19876178
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline (CID 114764907) is 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline is COc1cccc2oc(-c3cccc(C)c3N)nc12.
What is the InChIKey of 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline?
The InChIKey is ZPVNPUXLKWMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-5-3-6-10(13(9)16)15-17-14-11(18-2)7-4-8-12(14)19-15/h3-8H,16H2,1-2H3.
What are the key properties of 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline?
2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline has a molecular weight of 254.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline is sourced from PubChem (CID 114764907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).