2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole

C19H20N2OS — CID 97320755

IUPAC2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CS[C@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C19H20N2OS/c1-3-17-20-21-18(22-17)13-23-19(15-10-5-4-6-11-15)16-12-8-7-9-14(16)2/h4-12,19H,3,13H2,1-2H3/t19-/m1/s1
InChIKeySMVLWPKBNOQXMM-LJQANCHMSA-N
MW324.45 g/mol
LogP4.96
Rot. Bonds6

About 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 97320755) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID97320755
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CS[C@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C19H20N2OS/c1-3-17-20-21-18(22-17)13-23-19(15-10-5-4-6-11-15)16-12-8-7-9-14(16)2/h4-12,19H,3,13H2,1-2H3/t19-/m1/s1
InChIKeySMVLWPKBNOQXMM-LJQANCHMSA-N
XLogP4.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97320765
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
CID 8708192
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 18130683
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446
N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 35500116
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 37078179
2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-methylbenzoic acid
CID 113371772

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole (CID 97320755) is 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CS[C@H](c2ccccc2)c2ccccc2C)o1.
What is the InChIKey of 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SMVLWPKBNOQXMM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-17-20-21-18(22-17)13-23-19(15-10-5-4-6-11-15)16-12-8-7-9-14(16)2/h4-12,19H,3,13H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 324.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97320755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).