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

C9H10N2O — CID 142733342

IUPAC2-methyl-5-phenyl-5H-1,2,4-oxadiazole
SMILESCN1C=NC(c2ccccc2)O1
InChIInChI=1S/C9H10N2O/c1-11-7-10-9(12-11)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyCFFMNMUTFMRAGU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.59
Rot. Bonds1

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

2-methyl-5-phenyl-5H-1,2,4-oxadiazole (PubChem CID 142733342) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-5-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-phenyl-5H-1,2,4-oxadiazole
PubChem CID142733342
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methyl-5-phenyl-5H-1,2,4-oxadiazole
SMILESCN1C=NC(c2ccccc2)O1
InChIInChI=1S/C9H10N2O/c1-11-7-10-9(12-11)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyCFFMNMUTFMRAGU-UHFFFAOYSA-N
XLogP1.59
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-1-phenylmethoxyguanidine
CID 11053221
5-phenyl-4-(trifluoromethyl)-5H-1,2,4-oxadiazole
CID 91355495
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
N,N-dimethyl-N'-phenylmethoxymethanimidamide
CID 14715173
5-methyl-5-phenyl-2H-1,2,4-oxadiazole
CID 17951773
2-(chloromethyl)-5-(2-chlorophenyl)-5H-1,2,4-oxadiazole
CID 53697646
3-Methoxy-3-phenyl-1,2,4-triazole
CID 57181715
5-Tert-butyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 57845001
5-(3-bromophenyl)-2-methyl-5H-1,2,4-oxadiazol-3-amine
CID 57911569
1-phenylmethoxy-2H-1,3,5-triazine
CID 67687700
2-Imidazolinyl-phenylmethanol
CID 68138762
3-Methyl-5-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 68365613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 2-methyl-5-phenyl-5H-1,2,4-oxadiazole (CID 142733342) is 2-methyl-5-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 2-methyl-5-phenyl-5H-1,2,4-oxadiazole is CN1C=NC(c2ccccc2)O1.
What is the InChIKey of 2-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is CFFMNMUTFMRAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-7-10-9(12-11)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 2-methyl-5-phenyl-5H-1,2,4-oxadiazole?
2-methyl-5-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 162.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 142733342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).