2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine

C16H16N2O2 — CID 79998854

IUPAC2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
SMILESCCc1ccccc1OCc1nc2c(N)cccc2o1
InChIInChI=1S/C16H16N2O2/c1-2-11-6-3-4-8-13(11)19-10-15-18-16-12(17)7-5-9-14(16)20-15/h3-9H,2,10,17H2,1H3
InChIKeyDSEQSWBEGHGPLI-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine

2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine (PubChem CID 79998854) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
PubChem CID79998854
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
SMILESCCc1ccccc1OCc1nc2c(N)cccc2o1
InChIInChI=1S/C16H16N2O2/c1-2-11-6-3-4-8-13(11)19-10-15-18-16-12(17)7-5-9-14(16)20-15/h3-9H,2,10,17H2,1H3
InChIKeyDSEQSWBEGHGPLI-UHFFFAOYSA-N
XLogP3.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.55
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-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79997949
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120
2-[(4-methylsulfanylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79999898
2-[(4-bromophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79022080
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
CID 79999709
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 79022482
2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
CID 112587266
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine (CID 79998854) is 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine is CCc1ccccc1OCc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine?
The InChIKey is DSEQSWBEGHGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-11-6-3-4-8-13(11)19-10-15-18-16-12(17)7-5-9-14(16)20-15/h3-9H,2,10,17H2,1H3.
What are the key properties of 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine?
2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79998854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).