3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole

C14H10N6OS — CID 68642288

IUPAC3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole
SMILESc1cnc(-c2cc(-c3ccon3)n(Cc3cscn3)n2)nc1
InChIInChI=1S/C14H10N6OS/c1-3-15-14(16-4-1)12-6-13(11-2-5-21-19-11)20(18-12)7-10-8-22-9-17-10/h1-6,8-9H,7H2
InChIKeyGOLXJAPGZHBHBW-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.50
Rot. Bonds4

About 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole

3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 68642288) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole
PubChem CID68642288
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole
SMILESc1cnc(-c2cc(-c3ccon3)n(Cc3cscn3)n2)nc1
InChIInChI=1S/C14H10N6OS/c1-3-15-14(16-4-1)12-6-13(11-2-5-21-19-11)20(18-12)7-10-8-22-9-17-10/h1-6,8-9H,7H2
InChIKeyGOLXJAPGZHBHBW-UHFFFAOYSA-N
XLogP2.50
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole (CID 68642288) is 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole is c1cnc(-c2cc(-c3ccon3)n(Cc3cscn3)n2)nc1.
What is the InChIKey of 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is GOLXJAPGZHBHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS/c1-3-15-14(16-4-1)12-6-13(11-2-5-21-19-11)20(18-12)7-10-8-22-9-17-10/h1-6,8-9H,7H2.
What are the key properties of 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole?
3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 310.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-pyrimidin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 68642288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).