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

C16H16N2O — CID 82357516

IUPACN-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
SMILESCCNCc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-2-17-11-12-8-9-14-15(10-12)19-16(18-14)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3
InChIKeyHADIOWPFLVJICG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.60
Rot. Bonds4

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

N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine (PubChem CID 82357516) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
PubChem CID82357516
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
SMILESCCNCc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H16N2O/c1-2-17-11-12-8-9-14-15(10-12)19-16(18-14)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3
InChIKeyHADIOWPFLVJICG-UHFFFAOYSA-N
XLogP3.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357586
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
3-methyl-1-(2-phenyl-1,3-benzoxazol-6-yl)butan-1-one
CID 67466384
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
3-[[2-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]methylamino]propanoic acid
CID 11488190
bicyclo[2.2.0]hexa-1,3,5-triene;3-[[2-[2-ethyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]methylamino]propanoic acid
CID 174493710
3-(2-phenyl-1,3-benzoxazole-6-carbonyl)pentanoic acid
CID 67466234

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine (CID 82357516) is N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine is CCNCc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine?
The InChIKey is HADIOWPFLVJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-17-11-12-8-9-14-15(10-12)19-16(18-14)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3.
What are the key properties of N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine?
N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine is sourced from PubChem (CID 82357516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).