2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine

C15H14N2OS — CID 79972347

IUPAC2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine
SMILESCc1ccccc1SCc1nc2cc(N)ccc2o1
InChIInChI=1S/C15H14N2OS/c1-10-4-2-3-5-14(10)19-9-15-17-12-8-11(16)6-7-13(12)18-15/h2-8H,9,16H2,1H3
InChIKeyRIIWSCDVMUDZDG-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.01
Rot. Bonds3

About 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine

2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine (PubChem CID 79972347) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine
PubChem CID79972347
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine
SMILESCc1ccccc1SCc1nc2cc(N)ccc2o1
InChIInChI=1S/C15H14N2OS/c1-10-4-2-3-5-14(10)19-9-15-17-12-8-11(16)6-7-13(12)18-15/h2-8H,9,16H2,1H3
InChIKeyRIIWSCDVMUDZDG-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-difluorophenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine
CID 79971254
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazol-5-amine
CID 79971087
4-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-bromoaniline
CID 82841096
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-benzoxazol-5-amine
CID 79960380
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-(pentylsulfanylmethyl)-1,3-benzoxazol-5-amine
CID 107748465
4-(1,3-benzoxazol-2-ylmethylsulfanyl)aniline
CID 43299327
2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79885847
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-chloroaniline
CID 43251027
2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazol-6-amine
CID 79997780
2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 62549155
2-[(2-methylindol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79960161

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine (CID 79972347) is 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine is Cc1ccccc1SCc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine?
The InChIKey is RIIWSCDVMUDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-4-2-3-5-14(10)19-9-15-17-12-8-11(16)6-7-13(12)18-15/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine?
2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine has a molecular weight of 270.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)sulfanylmethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79972347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).