3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C16H11FN4OS — CID 20922562

IUPAC3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(NCc4cccs4)c23)cc1
InChIInChI=1S/C16H11FN4OS/c17-11-5-3-10(4-6-11)14-13-15(18-8-12-2-1-7-23-12)19-9-20-16(13)22-21-14/h1-7,9H,8H2,(H,18,19,20)
InChIKeyUQVUEXBWMCHOGY-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922562) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922562
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(NCc4cccs4)c23)cc1
InChIInChI=1S/C16H11FN4OS/c17-11-5-3-10(4-6-11)14-13-15(18-8-12-2-1-7-23-12)19-9-20-16(13)22-21-14/h1-7,9H,8H2,(H,18,19,20)
InChIKeyUQVUEXBWMCHOGY-UHFFFAOYSA-N
XLogP4.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922562) is 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(-c2noc3ncnc(NCc4cccs4)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UQVUEXBWMCHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c17-11-5-3-10(4-6-11)14-13-15(18-8-12-2-1-7-23-12)19-9-20-16(13)22-21-14/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).