2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C18H15N5O — CID 17015222

IUPAC2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1
InChIInChI=1S/C18H15N5O/c1-12-7-6-10-15(11-12)23-13(2)16(19-22-23)18-21-20-17(24-18)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDSTYLHKKDGXDNP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds3

About 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 17015222) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID17015222
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1
InChIInChI=1S/C18H15N5O/c1-12-7-6-10-15(11-12)23-13(2)16(19-22-23)18-21-20-17(24-18)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDSTYLHKKDGXDNP-UHFFFAOYSA-N
XLogP3.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
4-(chloromethyl)-1,5-bis(3-methylphenyl)triazole
CID 56769786
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 17015222) is 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is Cc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1.
What is the InChIKey of 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is DSTYLHKKDGXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-7-6-10-15(11-12)23-13(2)16(19-22-23)18-21-20-17(24-18)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).