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

C15H14N2O3 — CID 39111936

IUPAC2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
SMILESCOc1ccccc1OCc1nc2cc(N)ccc2o1
InChIInChI=1S/C15H14N2O3/c1-18-13-4-2-3-5-14(13)19-9-15-17-11-8-10(16)6-7-12(11)20-15/h2-8H,9,16H2,1H3
InChIKeyNOTNNZOHYAWBML-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.00
Rot. Bonds4

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

2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine (PubChem CID 39111936) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
PubChem CID39111936
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
SMILESCOc1ccccc1OCc1nc2cc(N)ccc2o1
InChIInChI=1S/C15H14N2O3/c1-18-13-4-2-3-5-14(13)19-9-15-17-11-8-10(16)6-7-12(11)20-15/h2-8H,9,16H2,1H3
InChIKeyNOTNNZOHYAWBML-UHFFFAOYSA-N
XLogP3.00
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-fluorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 116688745
2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111964
2-[(2,4,5-trichlorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79960349
2-[(4-bromo-2-methylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79973126
2-[(5-bromo-2-chlorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79971823
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 79960342
2-[(2-chloro-6-fluorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 83051179
2-(pentoxymethyl)-1,3-benzoxazol-5-amine
CID 79972338
2-[(3-methoxy-3-methylbutoxy)methyl]-1,3-benzoxazol-5-amine
CID 106665121
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
2-(thiophen-2-ylmethoxymethyl)-1,3-benzoxazol-5-amine
CID 79971437

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine (CID 39111936) is 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine is COc1ccccc1OCc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is NOTNNZOHYAWBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-18-13-4-2-3-5-14(13)19-9-15-17-11-8-10(16)6-7-12(11)20-15/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine?
2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 270.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 39111936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).