2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole

C12H12N2O — CID 68949565

IUPAC2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC=Cc2ccccc2)o1
InChIInChI=1S/C12H12N2O/c1-10-13-14-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyKYMYMQTVPYRKRL-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole

2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole (PubChem CID 68949565) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
PubChem CID68949565
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC=Cc2ccccc2)o1
InChIInChI=1S/C12H12N2O/c1-10-13-14-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyKYMYMQTVPYRKRL-UHFFFAOYSA-N
XLogP2.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119068325
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
2-ethyl-5-[(E)-3-phenylprop-2-enyl]furan
CID 45095037
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]silane
CID 11658889
dimethyl-phenyl-[(Z)-3-phenylprop-2-enyl]silane
CID 102586986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole (CID 68949565) is 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole is Cc1nnc(CC=Cc2ccccc2)o1.
What is the InChIKey of 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole?
The InChIKey is KYMYMQTVPYRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-13-14-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole?
2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole has a molecular weight of 200.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole is sourced from PubChem (CID 68949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).