ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate

C7H9NO5S — CID 146484362

IUPACethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1S(C)(=O)=O
InChIInChI=1S/C7H9NO5S/c1-3-12-7(9)5-6(8-4-13-5)14(2,10)11/h4H,3H2,1-2H3
InChIKeyIRNMEJOSOYZPBU-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.25
Rot. Bonds3

About ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate

ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate (PubChem CID 146484362) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate
PubChem CID146484362
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Nameethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1S(C)(=O)=O
InChIInChI=1S/C7H9NO5S/c1-3-12-7(9)5-6(8-4-13-5)14(2,10)11/h4H,3H2,1-2H3
InChIKeyIRNMEJOSOYZPBU-UHFFFAOYSA-N
XLogP0.25
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 4-(4-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 44542997
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
ethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 155487640
ethyl 5-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 167884840
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
CID 59488726
ethyl 1,3,4-oxadiazole-2-carboxylate
CID 54358788
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-ethoxy-12-methyl-3-oxa-8,10,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,9-pentaene-4-carboxylate
CID 154209762

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate (CID 146484362) is ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1ocnc1S(C)(=O)=O.
What is the InChIKey of ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate?
The InChIKey is IRNMEJOSOYZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c1-3-12-7(9)5-6(8-4-13-5)14(2,10)11/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate?
ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate has a molecular weight of 219.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylsulfonyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 146484362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).