(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine

C16H20FN3O2S — CID 99825478

IUPAC(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine
SMILESC[C@H]1CN(CCSc2nnc(Cc3ccccc3F)o2)CCO1
InChIInChI=1S/C16H20FN3O2S/c1-12-11-20(6-8-21-12)7-9-23-16-19-18-15(22-16)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m0/s1
InChIKeyLRGVWJZPBDZPNK-LBPRGKRZSA-N
MW337.42 g/mol
LogP2.61
Rot. Bonds6

About (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine

(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine (PubChem CID 99825478) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine
PubChem CID99825478
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine
SMILESC[C@H]1CN(CCSc2nnc(Cc3ccccc3F)o2)CCO1
InChIInChI=1S/C16H20FN3O2S/c1-12-11-20(6-8-21-12)7-9-23-16-19-18-15(22-16)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m0/s1
InChIKeyLRGVWJZPBDZPNK-LBPRGKRZSA-N
XLogP2.61
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
CID 99825469
2-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]ethanol
CID 111433038
2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
CID 86818632
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95228208
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
CID 99825262
2,6-difluoro-N-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502463
N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027052
N-methyl-1-[2-[(2-methylmorpholin-4-yl)methyl]-3-pyridinyl]methanamine
CID 114198961
2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86885212
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine (CID 99825478) is (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine is C[C@H]1CN(CCSc2nnc(Cc3ccccc3F)o2)CCO1.
What is the InChIKey of (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine?
The InChIKey is LRGVWJZPBDZPNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-12-11-20(6-8-21-12)7-9-23-16-19-18-15(22-16)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine?
(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine has a molecular weight of 337.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine is sourced from PubChem (CID 99825478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).