5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole

C16H16N4O2S — CID 97228310

IUPAC5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESC[C@H](SCc1noc(C2CC2)n1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H16N4O2S/c1-10(23-9-13-17-16(22-19-13)12-7-8-12)15-18-14(20-21-15)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyIEYAODFMFVVWKN-JTQLQIEISA-N
MW328.40 g/mol
LogP3.99
Rot. Bonds6

About 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 97228310) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID97228310
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESC[C@H](SCc1noc(C2CC2)n1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H16N4O2S/c1-10(23-9-13-17-16(22-19-13)12-7-8-12)15-18-14(20-21-15)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyIEYAODFMFVVWKN-JTQLQIEISA-N
XLogP3.99
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-ol
CID 115659683
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259778
5-[1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259609
3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018138
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 60564006
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine
CID 171139769
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47012753
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527923

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole (CID 97228310) is 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole is C[C@H](SCc1noc(C2CC2)n1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is IEYAODFMFVVWKN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10(23-9-13-17-16(22-19-13)12-7-8-12)15-18-14(20-21-15)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 328.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97228310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).