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

C17H13FN4OS — CID 20922613

IUPAC3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(NCCc4ccsc4)c23)cc1
InChIInChI=1S/C17H13FN4OS/c18-13-3-1-12(2-4-13)15-14-16(20-10-21-17(14)23-22-15)19-7-5-11-6-8-24-9-11/h1-4,6,8-10H,5,7H2,(H,19,20,21)
InChIKeyPETLFZYQZAHSEL-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.14
Rot. Bonds5

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

3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922613) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922613
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(NCCc4ccsc4)c23)cc1
InChIInChI=1S/C17H13FN4OS/c18-13-3-1-12(2-4-13)15-14-16(20-10-21-17(14)23-22-15)19-7-5-11-6-8-24-9-11/h1-4,6,8-10H,5,7H2,(H,19,20,21)
InChIKeyPETLFZYQZAHSEL-UHFFFAOYSA-N
XLogP4.14
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.14
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-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922613) is 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(-c2noc3ncnc(NCCc4ccsc4)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PETLFZYQZAHSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-13-3-1-12(2-4-13)15-14-16(20-10-21-17(14)23-22-15)19-7-5-11-6-8-24-9-11/h1-4,6,8-10H,5,7H2,(H,19,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-thiophen-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).