5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole

C17H16N2OS — CID 2233558

IUPAC5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyCRPPZWJNXLEYCA-CYBMUJFWSA-N
MW296.39 g/mol
LogP4.90
Rot. Bonds4

About 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2233558) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2233558
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyCRPPZWJNXLEYCA-CYBMUJFWSA-N
XLogP4.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 25421917
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 75852445
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63346487
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
3-phenyl-5-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 51289432

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole (CID 2233558) is 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CRPPZWJNXLEYCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 296.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2233558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).