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

C10H11N3O3S — CID 105354905

IUPAC2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1ncnc2onc(C)c12)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-3-6(10(14)15)17-9-7-5(2)13-16-8(7)11-4-12-9/h4,6H,3H2,1-2H3,(H,14,15)
InChIKeyKCWYMOXZYPTTIB-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.88
Rot. Bonds4

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

2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid (PubChem CID 105354905) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid
PubChem CID105354905
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1ncnc2onc(C)c12)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-3-6(10(14)15)17-9-7-5(2)13-16-8(7)11-4-12-9/h4,6H,3H2,1-2H3,(H,14,15)
InChIKeyKCWYMOXZYPTTIB-UHFFFAOYSA-N
XLogP1.88
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid with MolForge

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Related Compounds

4-(1-carboxypropylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 64668107
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
CID 102686173
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)butanoic acid
CID 105353197
2-(1-carboxypropylsulfanyl)-4,6-dimethylpyridine-3-carboxylic acid
CID 45305801
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
4-(1-carboxypropylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 64667300
(2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid
CID 7454509
3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 103153700
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylsulfanyl)butanoic acid
CID 106536865

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid?
The IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid (CID 105354905) is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid?
The canonical SMILES for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid is CCC(Sc1ncnc2onc(C)c12)C(=O)O.
What is the InChIKey of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid?
The InChIKey is KCWYMOXZYPTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-3-6(10(14)15)17-9-7-5(2)13-16-8(7)11-4-12-9/h4,6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid?
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid has a molecular weight of 253.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]butanoic acid is sourced from PubChem (CID 105354905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).