3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole

C17H15ClN2O2S — CID 97236376

IUPAC3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESC[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O2S/c1-12(13-7-9-15(18)10-8-13)23(21)11-16-19-17(22-20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/t12-,23-/m1/s1
InChIKeyNUANBCPFAZCTBF-SFDCACGMSA-N
MW346.84 g/mol
LogP4.40
Rot. Bonds5

About 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole

3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 97236376) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID97236376
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESC[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O2S/c1-12(13-7-9-15(18)10-8-13)23(21)11-16-19-17(22-20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/t12-,23-/m1/s1
InChIKeyNUANBCPFAZCTBF-SFDCACGMSA-N
XLogP4.40
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole
CID 84591571
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43352454
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
3-[[(S)-[(1S)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-4-methyl-1,2,4-triazole
CID 99602099
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 75384744
3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-2-methylpropan-1-ol
CID 111469816

Frequently Asked Questions

What is the IUPAC name of 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole (CID 97236376) is 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole is C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is NUANBCPFAZCTBF-SFDCACGMSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-12(13-7-9-15(18)10-8-13)23(21)11-16-19-17(22-20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/t12-,23-/m1/s1.
What are the key properties of 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole?
3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 346.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 97236376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).