2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid

C10H10F3N3O4 — CID 162335201

IUPAC2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCCCOc1nc2cncnc2o1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3O2.C2HF3O2/c1-2-3-12-8-11-6-4-9-5-10-7(6)13-8;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyFSXCJHULTCISMI-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.04
Rot. Bonds3

About 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid

2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 162335201) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID162335201
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCCCOc1nc2cncnc2o1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3O2.C2HF3O2/c1-2-3-12-8-11-6-4-9-5-10-7(6)13-8;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyFSXCJHULTCISMI-UHFFFAOYSA-N
XLogP2.04
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid (CID 162335201) is 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid is CCCOc1nc2cncnc2o1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is FSXCJHULTCISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.C2HF3O2/c1-2-3-12-8-11-6-4-9-5-10-7(6)13-8;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7).
What are the key properties of 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid?
2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 293.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162335201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).