2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine

C15H12N6OS — CID 90089492

IUPAC2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(-c3ccon3)n(Cc3ccsc3)n2)n1
InChIInChI=1S/C15H12N6OS/c16-14-1-4-17-15(18-14)12-7-13(11-2-5-22-20-11)21(19-12)8-10-3-6-23-9-10/h1-7,9H,8H2,(H2,16,17,18)
InChIKeyILOSVCCWDLWDMU-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.69
Rot. Bonds4

About 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine

2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 90089492) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID90089492
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(-c3ccon3)n(Cc3ccsc3)n2)n1
InChIInChI=1S/C15H12N6OS/c16-14-1-4-17-15(18-14)12-7-13(11-2-5-22-20-11)21(19-12)8-10-3-6-23-9-10/h1-7,9H,8H2,(H2,16,17,18)
InChIKeyILOSVCCWDLWDMU-UHFFFAOYSA-N
XLogP2.69
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine (CID 90089492) is 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine is Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccsc3)n2)n1.
What is the InChIKey of 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is ILOSVCCWDLWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c16-14-1-4-17-15(18-14)12-7-13(11-2-5-22-20-11)21(19-12)8-10-3-6-23-9-10/h1-7,9H,8H2,(H2,16,17,18).
What are the key properties of 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine?
2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 324.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2-oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).