[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid

C6H4N4O3 — CID 18933265

IUPAC[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid
SMILESO=C(O)Nc1nc2cncnc2o1
InChIInChI=1S/C6H4N4O3/c11-6(12)10-5-9-3-1-7-2-8-4(3)13-5/h1-2H,(H,9,10)(H,11,12)
InChIKeyLRKCHZXVJVEHSL-UHFFFAOYSA-N
MW180.12 g/mol
LogP0.71
Rot. Bonds1

About [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid

[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid (PubChem CID 18933265) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid.

Molecular Properties

Compound Name[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid
PubChem CID18933265
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid
SMILESO=C(O)Nc1nc2cncnc2o1
InChIInChI=1S/C6H4N4O3/c11-6(12)10-5-9-3-1-7-2-8-4(3)13-5/h1-2H,(H,9,10)(H,11,12)
InChIKeyLRKCHZXVJVEHSL-UHFFFAOYSA-N
XLogP0.71
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid?
The IUPAC name of [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid (CID 18933265) is [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid.
What is the SMILES notation for [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid?
The canonical SMILES for [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid is O=C(O)Nc1nc2cncnc2o1.
What is the InChIKey of [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid?
The InChIKey is LRKCHZXVJVEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c11-6(12)10-5-9-3-1-7-2-8-4(3)13-5/h1-2H,(H,9,10)(H,11,12).
What are the key properties of [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid?
[1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid has a molecular weight of 180.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid is sourced from PubChem (CID 18933265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).