3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one

C21H34N6O4S — CID 67507235

IUPAC3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H]1C[C@H](N2CCC(c3nn(CCN4CCOCC4)c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C21H34N6O4S/c28-20(26-9-12-32-15-26)18-13-17(14-22-18)25-3-1-16(2-4-25)19-23-27(21(29)31-19)6-5-24-7-10-30-11-8-24/h16-18,22H,1-15H2/t17-,18-/m0/s1
InChIKeyNFKUVUUKWNIFHR-ROUUACIJSA-N
MW466.61 g/mol
LogP-0.39
Rot. Bonds6

About 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one

3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one (PubChem CID 67507235) has the molecular formula C21H34N6O4S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
PubChem CID67507235
Molecular FormulaC21H34N6O4S
Molecular Weight466.61 g/mol
Exact Mass466.24
IUPAC Name3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H]1C[C@H](N2CCC(c3nn(CCN4CCOCC4)c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C21H34N6O4S/c28-20(26-9-12-32-15-26)18-13-17(14-22-18)25-3-1-16(2-4-25)19-23-27(21(29)31-19)6-5-24-7-10-30-11-8-24/h16-18,22H,1-15H2/t17-,18-/m0/s1
InChIKeyNFKUVUUKWNIFHR-ROUUACIJSA-N
XLogP-0.39
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

methyl 2-[2-oxo-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-3-yl]acetate;dihydrochloride
CID 67506108
methyl 2-[2-oxo-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-3-yl]acetate
CID 67506109
tert-butyl (2S,4S)-4-[4-[4-(2-methoxy-2-oxoethyl)-5-oxo-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67506881
3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one;trihydrochloride
CID 67507234
tert-butyl (2S,4S)-4-[4-[4-(2-morpholin-4-ylethyl)-5-oxo-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507726
3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one;dihydrochloride
CID 67507744
3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
CID 67507745

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one (CID 67507235) is 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one is O=C([C@@H]1C[C@H](N2CCC(c3nn(CCN4CCOCC4)c(=O)o3)CC2)CN1)N1CCSC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one?
The InChIKey is NFKUVUUKWNIFHR-ROUUACIJSA-N. The full InChI is InChI=1S/C21H34N6O4S/c28-20(26-9-12-32-15-26)18-13-17(14-22-18)25-3-1-16(2-4-25)19-23-27(21(29)31-19)6-5-24-7-10-30-11-8-24/h16-18,22H,1-15H2/t17-,18-/m0/s1.
What are the key properties of 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one?
3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one has a molecular weight of 466.61 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 67507235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).