2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid

C12H10N4O3S — CID 115284503

IUPAC2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1noc2ncnc(NC(C(=O)O)c3cccs3)c12
InChIInChI=1S/C12H10N4O3S/c1-6-8-10(13-5-14-11(8)19-16-6)15-9(12(17)18)7-3-2-4-20-7/h2-5,9H,1H3,(H,17,18)(H,13,14,15)
InChIKeyNAUUZOAPJHUILU-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.23
Rot. Bonds4

About 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid

2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284503) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284503
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1noc2ncnc(NC(C(=O)O)c3cccs3)c12
InChIInChI=1S/C12H10N4O3S/c1-6-8-10(13-5-14-11(8)19-16-6)15-9(12(17)18)7-3-2-4-20-7/h2-5,9H,1H3,(H,17,18)(H,13,14,15)
InChIKeyNAUUZOAPJHUILU-UHFFFAOYSA-N
XLogP2.23
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid
CID 115284540
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844681
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284193
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol
CID 97187333
2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 167751709
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid (CID 115284503) is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid is Cc1noc2ncnc(NC(C(=O)O)c3cccs3)c12.
What is the InChIKey of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is NAUUZOAPJHUILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-6-8-10(13-5-14-11(8)19-16-6)15-9(12(17)18)7-3-2-4-20-7/h2-5,9H,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 290.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).