(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine

C15H14N2O — CID 14093478

IUPAC(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-10(16)11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18-15/h2-10H,16H2,1H3/t10-/m0/s1
InChIKeyNJMZBEBXPCJRNM-JTQLQIEISA-N
MW238.29 g/mol
LogP3.51
Rot. Bonds2

About (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine

(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine (PubChem CID 14093478) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
PubChem CID14093478
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-10(16)11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18-15/h2-10H,16H2,1H3/t10-/m0/s1
InChIKeyNJMZBEBXPCJRNM-JTQLQIEISA-N
XLogP3.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-bromoethyl)phenyl]-1,3-benzoxazole
CID 23459165
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine (CID 14093478) is (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine is C[C@H](N)c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine?
The InChIKey is NJMZBEBXPCJRNM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N2O/c1-10(16)11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18-15/h2-10H,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine?
(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 14093478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).