[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine

C15H14N2O3S — CID 81422815

IUPAC[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc2oc(-c3ccc(CN)cc3)nc2c1
InChIInChI=1S/C15H14N2O3S/c1-21(18,19)12-6-7-14-13(8-12)17-15(20-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3
InChIKeyVSYORHHOAKLHCU-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.36
Rot. Bonds3

About [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine

[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine (PubChem CID 81422815) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
PubChem CID81422815
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc2oc(-c3ccc(CN)cc3)nc2c1
InChIInChI=1S/C15H14N2O3S/c1-21(18,19)12-6-7-14-13(8-12)17-15(20-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3
InChIKeyVSYORHHOAKLHCU-UHFFFAOYSA-N
XLogP2.36
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81421458
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
CID 130449908
5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 81434358
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
CID 81433445
4-chloro-3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)aniline
CID 81421707
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-sulfonic acid
CID 58810936
5-[[2-(4-butylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-[(4-butylphenyl)methyl]-1,3-benzoxazole
CID 155301867
2-(4-butoxyphenyl)-5-[[2-(4-butoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135294656

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine (CID 81422815) is [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine is CS(=O)(=O)c1ccc2oc(-c3ccc(CN)cc3)nc2c1.
What is the InChIKey of [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine?
The InChIKey is VSYORHHOAKLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21(18,19)12-6-7-14-13(8-12)17-15(20-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3.
What are the key properties of [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine?
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine has a molecular weight of 302.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 81422815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).