2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid

C9H9N3O4 — CID 53213954

IUPAC2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid
SMILESCCc1noc2ncn(CC(=O)O)c(=O)c12
InChIInChI=1S/C9H9N3O4/c1-2-5-7-8(16-11-5)10-4-12(9(7)15)3-6(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyMDKCXVNYQOLIGU-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.03
Rot. Bonds3

About 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid

2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid (PubChem CID 53213954) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid
PubChem CID53213954
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid
SMILESCCc1noc2ncn(CC(=O)O)c(=O)c12
InChIInChI=1S/C9H9N3O4/c1-2-5-7-8(16-11-5)10-4-12(9(7)15)3-6(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyMDKCXVNYQOLIGU-UHFFFAOYSA-N
XLogP0.03
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 131346163
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 46350083
N-(2-ethylphenyl)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924606
4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 83908935
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
2-(5-bromo-4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 129219198
N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46350088
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660
3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 20924644
2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid
CID 118436888
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 53024007
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid (CID 53213954) is 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid is CCc1noc2ncn(CC(=O)O)c(=O)c12.
What is the InChIKey of 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid?
The InChIKey is MDKCXVNYQOLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-2-5-7-8(16-11-5)10-4-12(9(7)15)3-6(13)14/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid?
2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid has a molecular weight of 223.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 53213954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).