4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine

C19H24N6O2S — CID 8905969

IUPAC4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
SMILESCCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1N1CCOCC1
InChIInChI=1S/C19H24N6O2S/c1-4-25-18(24-9-11-26-12-10-24)22-23-19(25)28-14(3)16-20-21-17(27-16)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMAOYOFXYYDEZDW-AWEZNQCLSA-N
MW400.51 g/mol
LogP3.35
Rot. Bonds6

About 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine

4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 8905969) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
PubChem CID8905969
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
SMILESCCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1N1CCOCC1
InChIInChI=1S/C19H24N6O2S/c1-4-25-18(24-9-11-26-12-10-24)22-23-19(25)28-14(3)16-20-21-17(27-16)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMAOYOFXYYDEZDW-AWEZNQCLSA-N
XLogP3.35
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

4-[4-(2-methylpropyl)-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 74637277
4-[4-ethyl-5-(1-naphthalen-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
CID 60540954
2-(4-methylphenyl)-5-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78812077
(2S)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 9378605
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673
4-[4-ethyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8838342
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17418205
4-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 46531176
2-[1-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55391972
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
(2R)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 9378623
(2S)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 9378622

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine (CID 8905969) is 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine is CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1N1CCOCC1.
What is the InChIKey of 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is MAOYOFXYYDEZDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-4-25-18(24-9-11-26-12-10-24)22-23-19(25)28-14(3)16-20-21-17(27-16)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine?
4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 400.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 8905969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).