2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid

C8H6N2O3 — CID 82410229

IUPAC2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid
SMILESO=C(O)Cc1nccc2ocnc12
InChIInChI=1S/C8H6N2O3/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyWSSKHJHTTKMNMJ-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.85
Rot. Bonds2

About 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid

2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid (PubChem CID 82410229) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid
PubChem CID82410229
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid
SMILESO=C(O)Cc1nccc2ocnc12
InChIInChI=1S/C8H6N2O3/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyWSSKHJHTTKMNMJ-UHFFFAOYSA-N
XLogP0.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
CID 82403023
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-thieno[3,4-c]pyridin-4-ylacetic acid
CID 82402110
2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447

Frequently Asked Questions

What is the IUPAC name of 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid?
The IUPAC name of 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid (CID 82410229) is 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid.
What is the SMILES notation for 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid?
The canonical SMILES for 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid is O=C(O)Cc1nccc2ocnc12.
What is the InChIKey of 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid?
The InChIKey is WSSKHJHTTKMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid?
2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid has a molecular weight of 178.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid is sourced from PubChem (CID 82410229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).