[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine

C16H16N2O2 — CID 82357676

IUPAC[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyRCPBELCZPSCPNA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.91
Rot. Bonds5

About [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine

[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine (PubChem CID 82357676) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
PubChem CID82357676
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyRCPBELCZPSCPNA-UHFFFAOYSA-N
XLogP2.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
2-(3-phenoxypropyl)-1,3-benzoxazole-5-carboxylic acid
CID 83970969
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
N-(1,3-benzoxazol-2-ylmethyl)-2-phenoxyethanamine
CID 68835192
3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
CID 117098165
3-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-1-phenylpropan-1-one
CID 82357898
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
5-[[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10498189

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine (CID 82357676) is [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine is NCc1ccc2oc(CCOc3ccccc3)nc2c1.
What is the InChIKey of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is RCPBELCZPSCPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-11-12-6-7-15-14(10-12)18-16(20-15)8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2.
What are the key properties of [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine?
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 82357676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).