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

C11H12N4O3 — CID 64618849

IUPAC2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCc1noc2ncnc(N3CC(CC(=O)O)C3)c12
InChIInChI=1S/C11H12N4O3/c1-6-9-10(12-5-13-11(9)18-14-6)15-3-7(4-15)2-8(16)17/h5,7H,2-4H2,1H3,(H,16,17)
InChIKeyWKBBRYCYZLWWAR-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.84
Rot. Bonds3

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

2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 64618849) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID64618849
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCc1noc2ncnc(N3CC(CC(=O)O)C3)c12
InChIInChI=1S/C11H12N4O3/c1-6-9-10(12-5-13-11(9)18-14-6)15-3-7(4-15)2-8(16)17/h5,7H,2-4H2,1H3,(H,16,17)
InChIKeyWKBBRYCYZLWWAR-UHFFFAOYSA-N
XLogP0.84
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 63903342
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 63276797
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
3-methyl-4-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 70745727
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447
4-benzyl-3-ethyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56878361
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid (CID 64618849) is 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid is Cc1noc2ncnc(N3CC(CC(=O)O)C3)c12.
What is the InChIKey of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is WKBBRYCYZLWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-9-10(12-5-13-11(9)18-14-6)15-3-7(4-15)2-8(16)17/h5,7H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).