N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine

C17H18N2O2 — CID 82357531

IUPACN-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2nc(COc3ccccc3)oc2c1
InChIInChI=1S/C17H18N2O2/c1-2-18-11-13-8-9-15-16(10-13)21-17(19-15)12-20-14-6-4-3-5-7-14/h3-10,18H,2,11-12H2,1H3
InChIKeyWYRVQJLSYBVHOX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.52
Rot. Bonds6

About N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine

N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine (PubChem CID 82357531) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
PubChem CID82357531
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2nc(COc3ccccc3)oc2c1
InChIInChI=1S/C17H18N2O2/c1-2-18-11-13-8-9-15-16(10-13)21-17(19-15)12-20-14-6-4-3-5-7-14/h3-10,18H,2,11-12H2,1H3
InChIKeyWYRVQJLSYBVHOX-UHFFFAOYSA-N
XLogP3.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
CID 82357516
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
(2-propyl-1,3-benzoxazol-6-yl)methanol
CID 82357761
5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
CID 82095441

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine (CID 82357531) is N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine is CCNCc1ccc2nc(COc3ccccc3)oc2c1.
What is the InChIKey of N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine?
The InChIKey is WYRVQJLSYBVHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-18-11-13-8-9-15-16(10-13)21-17(19-15)12-20-14-6-4-3-5-7-14/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine?
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine has a molecular weight of 282.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine is sourced from PubChem (CID 82357531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).