2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole

C14H12N2O3S — CID 122447520

IUPAC2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cc2o1
InChIInChI=1S/C14H12N2O3S/c1-9-16-13-4-3-10(6-14(13)19-9)11-5-12(8-15-7-11)20(2,17)18/h3-8H,1-2H3
InChIKeyWDUHDPHUAAZCPN-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.60
Rot. Bonds2

About 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole

2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447520) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447520
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cc2o1
InChIInChI=1S/C14H12N2O3S/c1-9-16-13-4-3-10(6-14(13)19-9)11-5-12(8-15-7-11)20(2,17)18/h3-8H,1-2H3
InChIKeyWDUHDPHUAAZCPN-UHFFFAOYSA-N
XLogP2.60
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966109
3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
CID 116853227
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
(2-methyl-1,3-benzoxazol-6-yl) 4-chlorobenzenesulfonate
CID 110504429
N-methyl-3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-amine
CID 116853340
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
CID 541118
2-methyl-1,3-benzoxazole-6-sulfinate
CID 20632666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole (CID 122447520) is 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole is Cc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cc2o1.
What is the InChIKey of 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is WDUHDPHUAAZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-9-16-13-4-3-10(6-14(13)19-9)11-5-12(8-15-7-11)20(2,17)18/h3-8H,1-2H3.
What are the key properties of 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 288.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).