3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

C9H12N4O — CID 10058399

IUPAC3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESC/C=C/c1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H12N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11)/b3-2+
InChIKeyNPJFRWFOIDFTQT-NSCUHMNNSA-N
MW192.22 g/mol
LogP0.82
Rot. Bonds2

About 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 10058399) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID10058399
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESC/C=C/c1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H12N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11)/b3-2+
InChIKeyNPJFRWFOIDFTQT-NSCUHMNNSA-N
XLogP0.82
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
3-Methyl-5-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
CID 14742597
3-Ethyl-5-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
CID 14898757
3-Ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14898765
3-Methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14898787
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
3-But-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 9905064
3-Ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 23047513
3-Ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 23056710
5-(3-Methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 23057453
3-Propan-2-yl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 44209346
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 44472513

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (CID 10058399) is 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is C/C=C/c1noc(C2CN=CNC2)n1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is NPJFRWFOIDFTQT-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-3-8-12-9(14-13-8)7-4-10-6-11-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11)/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10058399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).