3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

C9H14N4O — CID 10104084

IUPAC3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H14N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyRSPRZSSEGPNFEQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.74
Rot. Bonds3

About 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 10104084) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID10104084
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H14N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyRSPRZSSEGPNFEQ-UHFFFAOYSA-N
XLogP0.74
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (CID 10104084) is 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is CCCc1noc(C2CN=CNC2)n1.
What is the InChIKey of 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is RSPRZSSEGPNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 194.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10104084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).