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

C10H8N2O3S — CID 106921174

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCc1coc(Sc2ccnc(C(=O)O)c2)n1
InChIInChI=1S/C10H8N2O3S/c1-6-5-15-10(12-6)16-7-2-3-11-8(4-7)9(13)14/h2-5H,1H3,(H,13,14)
InChIKeyIIOXNGZJZPONMQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.23
Rot. Bonds3

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

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid (PubChem CID 106921174) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
PubChem CID106921174
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCc1coc(Sc2ccnc(C(=O)O)c2)n1
InChIInChI=1S/C10H8N2O3S/c1-6-5-15-10(12-6)16-7-2-3-11-8(4-7)9(13)14/h2-5H,1H3,(H,13,14)
InChIKeyIIOXNGZJZPONMQ-UHFFFAOYSA-N
XLogP2.23
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928824
4-(5-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 61382658
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79554237
4-[(4-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554477
4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43326175
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315
4-(4-tert-butylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43330711
1-[5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-nitrophenyl]ethanone
CID 106923047
4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
CID 79554069
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid (CID 106921174) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid is Cc1coc(Sc2ccnc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is IIOXNGZJZPONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-6-5-15-10(12-6)16-7-2-3-11-8(4-7)9(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106921174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).