2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine

C15H14N2O2S — CID 79999709

IUPAC2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
SMILESCOc1ccccc1SCc1nc2c(N)cccc2o1
InChIInChI=1S/C15H14N2O2S/c1-18-11-6-2-3-8-13(11)20-9-14-17-15-10(16)5-4-7-12(15)19-14/h2-8H,9,16H2,1H3
InChIKeyRBBDODCSWHYHLA-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.71
Rot. Bonds4

About 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine

2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine (PubChem CID 79999709) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
PubChem CID79999709
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
SMILESCOc1ccccc1SCc1nc2c(N)cccc2o1
InChIInChI=1S/C15H14N2O2S/c1-18-11-6-2-3-8-13(11)20-9-14-17-15-10(16)5-4-7-12(15)19-14/h2-8H,9,16H2,1H3
InChIKeyRBBDODCSWHYHLA-UHFFFAOYSA-N
XLogP3.71
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998854
2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79997949
2-[(2-chlorophenyl)methylsulfanylmethyl]-1,3-benzoxazol-4-amine
CID 103288347
3-[(4-amino-1,3-benzoxazol-2-yl)methylsulfanyl]butan-1-ol
CID 79998202
2-[(4-amino-1,3-benzoxazol-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 79999278
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120
3-(4-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 114764850
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 79022482
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine (CID 79999709) is 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine is COc1ccccc1SCc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine?
The InChIKey is RBBDODCSWHYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-11-6-2-3-8-13(11)20-9-14-17-15-10(16)5-4-7-12(15)19-14/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine?
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine has a molecular weight of 286.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79999709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).