2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole

C6H9NO3S — CID 21030977

IUPAC2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole
SMILESCc1nc(CS(C)(=O)=O)co1
InChIInChI=1S/C6H9NO3S/c1-5-7-6(3-10-5)4-11(2,8)9/h3H,4H2,1-2H3
InChIKeyZCPZMSMEMRMFMV-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.53
Rot. Bonds2

About 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole

2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole (PubChem CID 21030977) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole
PubChem CID21030977
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole
SMILESCc1nc(CS(C)(=O)=O)co1
InChIInChI=1S/C6H9NO3S/c1-5-7-6(3-10-5)4-11(2,8)9/h3H,4H2,1-2H3
InChIKeyZCPZMSMEMRMFMV-UHFFFAOYSA-N
XLogP0.53
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethylsulfonylmethyl)-2-methyl-1,3-oxazole
CID 21031001
2-Cyclohexylsulfonyl-4-methyl-1,3-oxazole
CID 21329710
2-(Butane-1-sulfinyl)-4-methyl-1,3-oxazole
CID 21329712
2-Hexylsulfonyl-4-methyl-1,3-oxazole
CID 21329721
2-Butylsulfonyl-4-methyl-1,3-oxazole
CID 21329730
2-(Hexane-1-sulfinyl)-4-methyl-1,3-oxazole
CID 21329744
4-(Ethylsulfonylmethyl)-1,3-oxazole
CID 59154872
4-(Ethylsulfinylmethyl)-1,3-oxazole
CID 59155020
Methanesulphonic acid 2-methyloxazol-4-ylmethyl ester
CID 86596672
(2-Methyl-1,3-oxazol-4-yl)methanethiol
CID 89009049
Trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-lambda4-sulfanyl)methyl]-lambda4-sulfane
CID 89375391
2-(2-Ethylsulfanylethyl)-4-methyl-1,3-oxazole
CID 90339078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole (CID 21030977) is 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole is Cc1nc(CS(C)(=O)=O)co1.
What is the InChIKey of 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole?
The InChIKey is ZCPZMSMEMRMFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-5-7-6(3-10-5)4-11(2,8)9/h3H,4H2,1-2H3.
What are the key properties of 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole?
2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole has a molecular weight of 175.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 21030977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).