3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole

C12H16N2O — CID 12674716

IUPAC3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole
SMILESCCCN1C(C)=NOC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-3-9-14-10(2)13-15-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKeySMABMBCYVRETEG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole

3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole (PubChem CID 12674716) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole
PubChem CID12674716
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole
SMILESCCCN1C(C)=NOC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-3-9-14-10(2)13-15-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKeySMABMBCYVRETEG-UHFFFAOYSA-N
XLogP2.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
5-phenyl-4-(trifluoromethyl)-5H-1,2,4-oxadiazole
CID 91355495
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]azepine
CID 70230616
3-(Diethoxyphosphorylmethyl)-5-(4-fluorophenyl)-5-methyl-4-pent-4-enyl-1,2,4-oxadiazole
CID 88486908
3-(4-Fluorophenyl)-3,5,6,7-tetrahydro-[1,2,4]oxadiazolo[4,3-a]azepine
CID 91402477
2,4-Diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine
CID 123590224
3-methyl-4,5-diphenyl-5H-1,2,4-oxadiazole
CID 12255533
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole (CID 12674716) is 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole is CCCN1C(C)=NOC1c1ccccc1.
What is the InChIKey of 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole?
The InChIKey is SMABMBCYVRETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-9-14-10(2)13-15-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3.
What are the key properties of 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole?
3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole has a molecular weight of 204.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-4-propyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 12674716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).