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

C8H6N2O3 — CID 84656296

IUPAC2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1noc2cnccc12
InChIInChI=1S/C8H6N2O3/c11-8(12)3-6-5-1-2-9-4-7(5)13-10-6/h1-2,4H,3H2,(H,11,12)
InChIKeyNIRXATAWIPNVPX-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.85
Rot. Bonds2

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

2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid (PubChem CID 84656296) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid
PubChem CID84656296
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1noc2cnccc12
InChIInChI=1S/C8H6N2O3/c11-8(12)3-6-5-1-2-9-4-7(5)13-10-6/h1-2,4H,3H2,(H,11,12)
InChIKeyNIRXATAWIPNVPX-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-(5-chloro-1,2-benzoxazol-3-yl)acetic acid
CID 15562921
3-bromo-[1,2]oxazolo[5,4-c]pyridine
CID 84668629
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
CID 82403023
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
CID 105457087
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
3-furo[2,3-c]pyridin-3-yl-2-methylpropanoic acid
CID 84778212
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052

Frequently Asked Questions

What is the IUPAC name of 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid?
The IUPAC name of 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid (CID 84656296) is 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid is O=C(O)Cc1noc2cnccc12.
What is the InChIKey of 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid?
The InChIKey is NIRXATAWIPNVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8(12)3-6-5-1-2-9-4-7(5)13-10-6/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid?
2-([1,2]oxazolo[5,4-c]pyridin-3-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-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid is sourced from PubChem (CID 84656296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).