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

C16H25N5O3S — CID 67507745

IUPAC3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
SMILESCn1nc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)oc1=O
InChIInChI=1S/C16H25N5O3S/c1-19-16(23)24-14(18-19)11-2-4-20(5-3-11)12-8-13(17-9-12)15(22)21-6-7-25-10-21/h11-13,17H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyLRTMBTJMVUXOJX-STQMWFEESA-N
MW367.48 g/mol
LogP-0.18
Rot. Bonds3

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

3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one (PubChem CID 67507745) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-methyl-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-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
PubChem CID67507745
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
SMILESCn1nc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)oc1=O
InChIInChI=1S/C16H25N5O3S/c1-19-16(23)24-14(18-19)11-2-4-20(5-3-11)12-8-13(17-9-12)15(22)21-6-7-25-10-21/h11-13,17H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyLRTMBTJMVUXOJX-STQMWFEESA-N
XLogP-0.18
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-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-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) is 3-methyl-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-methyl-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-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one is Cn1nc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)oc1=O.
What is the InChIKey of 3-methyl-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 LRTMBTJMVUXOJX-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-19-16(23)24-14(18-19)11-2-4-20(5-3-11)12-8-13(17-9-12)15(22)21-6-7-25-10-21/h11-13,17H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of 3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one?
3-methyl-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 367.48 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-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 67507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).