3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C18H16N6O2 — CID 56782164

IUPAC3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2nc3ncccn3n2)oc1-c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-12-16(13-6-3-2-4-7-13)26-15(20-12)9-8-14(25)21-17-22-18-19-10-5-11-24(18)23-17/h2-7,10-11H,8-9H2,1H3,(H,21,23,25)
InChIKeyLUBRKCXBZBYUMK-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.66
Rot. Bonds5

About 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 56782164) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID56782164
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2nc3ncccn3n2)oc1-c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-12-16(13-6-3-2-4-7-13)26-15(20-12)9-8-14(25)21-17-22-18-19-10-5-11-24(18)23-17/h2-7,10-11H,8-9H2,1H3,(H,21,23,25)
InChIKeyLUBRKCXBZBYUMK-UHFFFAOYSA-N
XLogP2.66
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 56782164) is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is Cc1nc(CCC(=O)Nc2nc3ncccn3n2)oc1-c1ccccc1.
What is the InChIKey of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is LUBRKCXBZBYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-12-16(13-6-3-2-4-7-13)26-15(20-12)9-8-14(25)21-17-22-18-19-10-5-11-24(18)23-17/h2-7,10-11H,8-9H2,1H3,(H,21,23,25).
What are the key properties of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 348.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 56782164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).