2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid

C8H8N2O4 — CID 82399860

IUPAC2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid
SMILESO=C(O)Cc1cnc(=O)n2c1OCC2
InChIInChI=1S/C8H8N2O4/c11-6(12)3-5-4-9-8(13)10-1-2-14-7(5)10/h4H,1-3H2,(H,11,12)
InChIKeyICNUTDOAUFSWIJ-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.74
Rot. Bonds2

About 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid

2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid (PubChem CID 82399860) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid
PubChem CID82399860
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid
SMILESO=C(O)Cc1cnc(=O)n2c1OCC2
InChIInChI=1S/C8H8N2O4/c11-6(12)3-5-4-9-8(13)10-1-2-14-7(5)10/h4H,1-3H2,(H,11,12)
InChIKeyICNUTDOAUFSWIJ-UHFFFAOYSA-N
XLogP-0.74
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroimidazo[2,1-b][1,3]oxazol-5-yl)acetic acid
CID 96632535
7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid
CID 98012205
2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one
CID 84657303
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
CID 166313891
2-(5-oxo-2H-furan-3-yl)acetic acid
CID 55300457
2-(4-sulfanylcyclohexa-1,3-dien-1-yl)acetic acid
CID 163668412
2-(1-methyl-2,3-dihydroimidazo[1,2-a]imidazol-5-yl)acetic acid
CID 82408472
2-(2-ethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid;4-oxa-1-azabicyclo[3.1.0]hexane
CID 88622145
3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 102525452
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid?
The IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid (CID 82399860) is 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid is O=C(O)Cc1cnc(=O)n2c1OCC2.
What is the InChIKey of 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid?
The InChIKey is ICNUTDOAUFSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6(12)3-5-4-9-8(13)10-1-2-14-7(5)10/h4H,1-3H2,(H,11,12).
What are the key properties of 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid?
2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid has a molecular weight of 196.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-8-yl)acetic acid is sourced from PubChem (CID 82399860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).