3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid

C9H7N3O3S — CID 106926061

IUPAC3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
SMILESCc1coc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C9H7N3O3S/c1-5-4-15-9(12-5)16-7-6(8(13)14)10-2-3-11-7/h2-4H,1H3,(H,13,14)
InChIKeyXWTSFFRCKHSEBK-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.62
Rot. Bonds3

About 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid

3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid (PubChem CID 106926061) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
PubChem CID106926061
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
SMILESCc1coc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C9H7N3O3S/c1-5-4-15-9(12-5)16-7-6(8(13)14)10-2-3-11-7/h2-4H,1H3,(H,13,14)
InChIKeyXWTSFFRCKHSEBK-UHFFFAOYSA-N
XLogP1.62
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 106922418
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106921161
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 104604147
3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62701775
1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106921162

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid (CID 106926061) is 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid is Cc1coc(Sc2nccnc2C(=O)O)n1.
What is the InChIKey of 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid?
The InChIKey is XWTSFFRCKHSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c1-5-4-15-9(12-5)16-7-6(8(13)14)10-2-3-11-7/h2-4H,1H3,(H,13,14).
What are the key properties of 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid?
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106926061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).