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

C15H23N5O3S — CID 67506117

IUPAC5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C15H23N5O3S/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13/h10-12,16H,1-9H2,(H,18,22)/t11-,12-/m0/s1
InChIKeyQOVWTFAQDQHWRT-RYUDHWBXSA-N
MW353.45 g/mol
LogP-0.19
Rot. Bonds3

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

5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 67506117) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID67506117
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C15H23N5O3S/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13/h10-12,16H,1-9H2,(H,18,22)/t11-,12-/m0/s1
InChIKeyQOVWTFAQDQHWRT-RYUDHWBXSA-N
XLogP-0.19
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-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
5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 67506116
tert-butyl (2S,4S)-4-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67506398
tert-butyl (2S,4S)-4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507620
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 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 67506117) is 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1.
What is the InChIKey of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QOVWTFAQDQHWRT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N5O3S/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13/h10-12,16H,1-9H2,(H,18,22)/t11-,12-/m0/s1.
What are the key properties of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 353.45 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 67506117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).