2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine

C15H14N2OS — CID 55241119

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
SMILESNC(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c16-12(11-6-2-1-3-7-11)10-19-15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2
InChIKeyVNQXHKHPYQXBQN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.62
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine

2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine (PubChem CID 55241119) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
PubChem CID55241119
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
SMILESNC(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c16-12(11-6-2-1-3-7-11)10-19-15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2
InChIKeyVNQXHKHPYQXBQN-UHFFFAOYSA-N
XLogP3.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanamine
CID 64650543
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
CID 64647808
2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983
4-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylbutane-1,3-diol
CID 23928188
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethylphenyl)ethanamine
CID 64648005
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64650155
3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid
CID 3108359
2-amino-4-(1,3-benzoxazol-2-ylsulfanyl)butanenitrile
CID 63054077
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996507
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
1-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxypropan-2-ol
CID 5333015
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64805790

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine (CID 55241119) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine is NC(CSc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine?
The InChIKey is VNQXHKHPYQXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-12(11-6-2-1-3-7-11)10-19-15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine has a molecular weight of 270.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine is sourced from PubChem (CID 55241119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).