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

C16H15N3OS — CID 2233921

IUPAC5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(S[C@H](C)c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-3-5-14(6-4-11)21-12(2)16-18-15(19-20-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyNPUKLOWPYVOFFO-GFCCVEGCSA-N
MW297.38 g/mol
LogP4.29
Rot. Bonds4

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

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2233921) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2233921
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(S[C@H](C)c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-3-5-14(6-4-11)21-12(2)16-18-15(19-20-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyNPUKLOWPYVOFFO-GFCCVEGCSA-N
XLogP4.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 25421917
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63346487
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726
3-phenyl-5-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 51289432
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
(1S)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847309
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2233921) is 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(S[C@H](C)c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is NPUKLOWPYVOFFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-3-5-14(6-4-11)21-12(2)16-18-15(19-20-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2233921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).