3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole

C115H109N35O3S3 — CID 159069643

IUPAC3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole
SMILESCc1ncnn1-c1ccccc1.Cc1nncn1-c1ccccc1.Cc1nnnn1-c1ccccc1.Cc1nnoc1-c1ccccc1.Cc1nnsc1-c1ccccc1.Cc1nonc1-c1ccccc1.Cc1nsnc1-c1ccccc1.Cc1onnc1-c1ccccc1.Cc1snnc1-c1ccccc1.Cn1cnnc1-c1ccccc1.Cn1ncnc1-c1ccccc1.Cn1nncc1-c1ccccc1.Cn1nnnc1-c1ccccc1
InChIInChI=1S/5C9H9N3.3C9H8N2O.3C9H8N2S.2C8H8N4/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-12-9(10-7-11-12)8-5-3-2-4-6-8;1-12-9(7-10-11-12)8-5-3-2-4-6-8;1-8-11-10-7-12(8)9-5-3-2-4-6-9;1-8-10-7-11-12(8)9-5-3-2-4-6-9;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-7-9-10-11-12(7)8-5-3-2-4-6-8/h5*2-7H,1H3;8*2-6H,1H3
InChIKeyJZMDAKALQIFLIE-UHFFFAOYSA-N
MW2125.58 g/mol
LogP23.12
Rot. Bonds13

About 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole

3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole (PubChem CID 159069643) has the molecular formula C115H109N35O3S3 and a molecular weight of 2125.58 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole
PubChem CID159069643
Molecular FormulaC115H109N35O3S3
Molecular Weight2125.58 g/mol
Exact Mass2123.86
IUPAC Name3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole
SMILESCc1ncnn1-c1ccccc1.Cc1nncn1-c1ccccc1.Cc1nnnn1-c1ccccc1.Cc1nnoc1-c1ccccc1.Cc1nnsc1-c1ccccc1.Cc1nonc1-c1ccccc1.Cc1nsnc1-c1ccccc1.Cc1onnc1-c1ccccc1.Cc1snnc1-c1ccccc1.Cn1cnnc1-c1ccccc1.Cn1ncnc1-c1ccccc1.Cn1nncc1-c1ccccc1.Cn1nnnc1-c1ccccc1
InChIInChI=1S/5C9H9N3.3C9H8N2O.3C9H8N2S.2C8H8N4/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-12-9(10-7-11-12)8-5-3-2-4-6-8;1-12-9(7-10-11-12)8-5-3-2-4-6-8;1-8-11-10-7-12(8)9-5-3-2-4-6-9;1-8-10-7-11-12(8)9-5-3-2-4-6-9;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-7-9-10-11-12(7)8-5-3-2-4-6-8/h5*2-7H,1H3;8*2-6H,1H3
InChIKeyJZMDAKALQIFLIE-UHFFFAOYSA-N
XLogP23.12
TPSA434.85 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds13
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.58
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-5-phenyl-2H-imidazole;3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;5-methyl-4-phenyl-3H-pyrazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyltriazole;5-methyl-1-phenyl-1,2,4-triazole
CID 157426416
3-Methyl-4-phenyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-phenyl-4-propan-2-ylpyrazole;4-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-2-propan-2-ylpentazol-2-ium;bis(1-phenyl-5-propan-2-ylpyrazole);2-phenyl-3-propan-2-ylthiophene;3-phenyl-2-propan-2-ylthiophene;3-phenyl-4-propan-2-ylthiophene;1-phenyl-5-propan-2-yltriazole;3-phenyl-4-propan-2-yl-1,2,4-triazole
CID 158550284
3-Methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyltriazole;5-methyl-1-phenyl-1,2,4-triazole
CID 160751498

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole (CID 159069643) is 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole is Cc1ncnn1-c1ccccc1.Cc1nncn1-c1ccccc1.Cc1nnnn1-c1ccccc1.Cc1nnoc1-c1ccccc1.Cc1nnsc1-c1ccccc1.Cc1nonc1-c1ccccc1.Cc1nsnc1-c1ccccc1.Cc1onnc1-c1ccccc1.Cc1snnc1-c1ccccc1.Cn1cnnc1-c1ccccc1.Cn1ncnc1-c1ccccc1.Cn1nncc1-c1ccccc1.Cn1nnnc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole?
The InChIKey is JZMDAKALQIFLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C9H9N3.3C9H8N2O.3C9H8N2S.2C8H8N4/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-12-9(10-7-11-12)8-5-3-2-4-6-8;1-12-9(7-10-11-12)8-5-3-2-4-6-8;1-8-11-10-7-12(8)9-5-3-2-4-6-9;1-8-10-7-11-12(8)9-5-3-2-4-6-9;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-7-9(10-11-12-7)8-5-3-2-4-6-8;1-7-9(12-11-10-7)8-5-3-2-4-6-8;1-7-9(11-12-10-7)8-5-3-2-4-6-8;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-7-9-10-11-12(7)8-5-3-2-4-6-8/h5*2-7H,1H3;8*2-6H,1H3.
What are the key properties of 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole?
3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole has a molecular weight of 2125.58 g/mol, XLogP of 23.12, 13 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,2,5-oxadiazole;4-methyl-5-phenyloxadiazole;5-methyl-4-phenyloxadiazole;1-methyl-5-phenyltetrazole;5-methyl-1-phenyltetrazole;3-methyl-4-phenyl-1,2,5-thiadiazole;4-methyl-5-phenylthiadiazole;5-methyl-4-phenylthiadiazole;1-methyl-5-phenyltriazole;1-methyl-5-phenyl-1,2,4-triazole;3-methyl-4-phenyl-1,2,4-triazole;4-methyl-3-phenyl-1,2,4-triazole;5-methyl-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 159069643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).