2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine

C16H16N2O2 — CID 39111964

IUPAC2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
SMILESCc1ccc(C)c(OCc2nc3cc(N)ccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-10-3-4-11(2)15(7-10)19-9-16-18-13-8-12(17)5-6-14(13)20-16/h3-8H,9,17H2,1-2H3
InChIKeyNJGCWMVGOCHNBC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.61
Rot. Bonds3

About 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine

2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine (PubChem CID 39111964) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
PubChem CID39111964
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
SMILESCc1ccc(C)c(OCc2nc3cc(N)ccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-10-3-4-11(2)15(7-10)19-9-16-18-13-8-12(17)5-6-14(13)20-16/h3-8H,9,17H2,1-2H3
InChIKeyNJGCWMVGOCHNBC-UHFFFAOYSA-N
XLogP3.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.61
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-bromo-2-methylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79973126
2-[(2,4,5-trichlorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79960349
2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111936
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79960342
[2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-6-yl]methanol
CID 82357809
2-[(5-bromo-2-chlorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79971823
2-[(3-chloro-2-fluorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 116688745
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
2-[(2,4-dimethylphenyl)sulfinylmethyl]-1,3-benzoxazol-5-amine
CID 79960555
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
CID 10445998
2-(pentoxymethyl)-1,3-benzoxazol-5-amine
CID 79972338
2-[(5-methylindol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79960177

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine (CID 39111964) is 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine is Cc1ccc(C)c(OCc2nc3cc(N)ccc3o2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is NJGCWMVGOCHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-3-4-11(2)15(7-10)19-9-16-18-13-8-12(17)5-6-14(13)20-16/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine?
2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 39111964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).