2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C12H10N4O3S — CID 81178402

IUPAC2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1Cc1ccon1
InChIInChI=1S/C12H10N4O3S/c17-11(18)7-20-12-14-9-5-13-3-1-10(9)16(12)6-8-2-4-19-15-8/h1-5H,6-7H2,(H,17,18)
InChIKeyXEZFKUNASATPSR-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 81178402) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID81178402
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1Cc1ccon1
InChIInChI=1S/C12H10N4O3S/c17-11(18)7-20-12-14-9-5-13-3-1-10(9)16(12)6-8-2-4-19-15-8/h1-5H,6-7H2,(H,17,18)
InChIKeyXEZFKUNASATPSR-UHFFFAOYSA-N
XLogP1.64
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 103462857
2-[7-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115552138
2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 83203299
2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292551
2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79273014
2-[1,3-dimethyl-6-(1,2-oxazol-3-ylmethyl)imidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 81176669
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520
2-[1-[1-(ethylamino)-1-oxopropan-2-yl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79272624
2-[1-(1-methoxy-3-methylbutan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79274594
2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271892

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 81178402) is 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cnccc2n1Cc1ccon1.
What is the InChIKey of 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is XEZFKUNASATPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c17-11(18)7-20-12-14-9-5-13-3-1-10(9)16(12)6-8-2-4-19-15-8/h1-5H,6-7H2,(H,17,18).
What are the key properties of 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 290.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).