5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole

C10H15N5OS — CID 47155591

IUPAC5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H15N5OS/c1-4-5-8-12-9(16-15-8)6(2)17-10-11-7(3)13-14-10/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyFVXASXZDCZJXIC-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.30
Rot. Bonds5

About 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47155591) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47155591
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H15N5OS/c1-4-5-8-12-9(16-15-8)6(2)17-10-11-7(3)13-14-10/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyFVXASXZDCZJXIC-UHFFFAOYSA-N
XLogP2.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 40011373
3-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 31529786
3-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 33257500
3-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 35358602
3-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 36308224
3-[(3-Propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 36681115
3-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 37934557
3-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 46567529
3-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 47148375
3-[(5-Butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 60564239
3-[1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133819966
3-[1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133903898

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 47155591) is 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(C(C)Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is FVXASXZDCZJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-4-5-8-12-9(16-15-8)6(2)17-10-11-7(3)13-14-10/h6H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 253.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47155591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).