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

C11H17N5OS — CID 94775379

IUPAC5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2n[nH]c(CC)n2)n1
InChIInChI=1S/C11H17N5OS/c1-4-6-9-12-10(17-16-9)7(3)18-11-13-8(5-2)14-15-11/h7H,4-6H2,1-3H3,(H,13,14,15)/t7-/m1/s1
InChIKeyYUKKTNNCQZHJBO-SSDOTTSWSA-N
MW267.36 g/mol
LogP2.56
Rot. Bonds6

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

5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 94775379) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID94775379
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2n[nH]c(CC)n2)n1
InChIInChI=1S/C11H17N5OS/c1-4-6-9-12-10(17-16-9)7(3)18-11-13-8(5-2)14-15-11/h7H,4-6H2,1-3H3,(H,13,14,15)/t7-/m1/s1
InChIKeyYUKKTNNCQZHJBO-SSDOTTSWSA-N
XLogP2.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 56817301
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
3-methyl-5-[1-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 134052449
2-[(1S)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-phenyl-1,3-oxazole
CID 95347912
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 83478147
4-butyl-3-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-one
CID 46604278
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
3-methyl-5-[1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 56811243

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 94775379) is 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)Sc2n[nH]c(CC)n2)n1.
What is the InChIKey of 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is YUKKTNNCQZHJBO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-4-6-9-12-10(17-16-9)7(3)18-11-13-8(5-2)14-15-11/h7H,4-6H2,1-3H3,(H,13,14,15)/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 267.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 94775379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).