4-(1,3,5-triazin-2-yl)-1,2-oxazole

C6H4N4O — CID 54238777

IUPAC4-(1,3,5-triazin-2-yl)-1,2-oxazole
SMILESc1ncnc(-c2cnoc2)n1
InChIInChI=1S/C6H4N4O/c1-5(2-11-10-1)6-8-3-7-4-9-6/h1-4H
InChIKeyKLSVPULWAAWCKY-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.53
Rot. Bonds1

About 4-(1,3,5-triazin-2-yl)-1,2-oxazole

4-(1,3,5-triazin-2-yl)-1,2-oxazole (PubChem CID 54238777) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 4-(1,3,5-triazin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(1,3,5-triazin-2-yl)-1,2-oxazole
PubChem CID54238777
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name4-(1,3,5-triazin-2-yl)-1,2-oxazole
SMILESc1ncnc(-c2cnoc2)n1
InChIInChI=1S/C6H4N4O/c1-5(2-11-10-1)6-8-3-7-4-9-6/h1-4H
InChIKeyKLSVPULWAAWCKY-UHFFFAOYSA-N
XLogP0.53
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-triazin-2-yl)-1,2-oxazole?
The IUPAC name of 4-(1,3,5-triazin-2-yl)-1,2-oxazole (CID 54238777) is 4-(1,3,5-triazin-2-yl)-1,2-oxazole.
What is the SMILES notation for 4-(1,3,5-triazin-2-yl)-1,2-oxazole?
The canonical SMILES for 4-(1,3,5-triazin-2-yl)-1,2-oxazole is c1ncnc(-c2cnoc2)n1.
What is the InChIKey of 4-(1,3,5-triazin-2-yl)-1,2-oxazole?
The InChIKey is KLSVPULWAAWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c1-5(2-11-10-1)6-8-3-7-4-9-6/h1-4H.
What are the key properties of 4-(1,3,5-triazin-2-yl)-1,2-oxazole?
4-(1,3,5-triazin-2-yl)-1,2-oxazole has a molecular weight of 148.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-triazin-2-yl)-1,2-oxazole is sourced from PubChem (CID 54238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).