2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid

C13H14N2O3S — CID 106921161

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCc1coc(Sc2cc(C(=O)O)cc(C(C)C)n2)n1
InChIInChI=1S/C13H14N2O3S/c1-7(2)10-4-9(12(16)17)5-11(15-10)19-13-14-8(3)6-18-13/h4-7H,1-3H3,(H,16,17)
InChIKeyKUSVIYFMBHKUMO-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.35
Rot. Bonds4

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 106921161) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID106921161
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCc1coc(Sc2cc(C(=O)O)cc(C(C)C)n2)n1
InChIInChI=1S/C13H14N2O3S/c1-7(2)10-4-9(12(16)17)5-11(15-10)19-13-14-8(3)6-18-13/h4-7H,1-3H3,(H,16,17)
InChIKeyKUSVIYFMBHKUMO-UHFFFAOYSA-N
XLogP3.35
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
CID 106926920
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923038
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 62253629
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid (CID 106921161) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid is Cc1coc(Sc2cc(C(=O)O)cc(C(C)C)n2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is KUSVIYFMBHKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7(2)10-4-9(12(16)17)5-11(15-10)19-13-14-8(3)6-18-13/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 106921161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).