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

C15H17N5OS — CID 75399494

IUPAC3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C(C)SCc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C15H17N5OS/c1-10(15-16-11(2)19-21-15)22-9-13-17-18-14(20(13)3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyTXSKAFFPGYWHFN-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.17
Rot. Bonds5

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

3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 75399494) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID75399494
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C(C)SCc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C15H17N5OS/c1-10(15-16-11(2)19-21-15)22-9-13-17-18-14(20(13)3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyTXSKAFFPGYWHFN-UHFFFAOYSA-N
XLogP3.17
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75399493
5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55530401
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 95579086
N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 86787300
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 75441738
4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
CID 75393112
5-[1-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 43047137
6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 47065431
5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 97228310
5-[(1R)-1-[(5-ethoxy-2-pyridinyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 97228289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (CID 75399494) is 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is Cc1noc(C(C)SCc2nnc(-c3ccccc3)n2C)n1.
What is the InChIKey of 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is TXSKAFFPGYWHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10(15-16-11(2)19-21-15)22-9-13-17-18-14(20(13)3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 315.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75399494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).