[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C18H28N4O3 — CID 124889969

IUPAC[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@]2(O)CCN(C(=O)[C@H]3CCN(C4CCCCC4)C3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-13-19-17(25-20-13)18(24)8-10-22(12-18)16(23)14-7-9-21(11-14)15-5-3-2-4-6-15/h14-15,24H,2-12H2,1H3/t14-,18+/m0/s1
InChIKeyLDLVDQOTYZELRU-KBXCAEBGSA-N
MW348.45 g/mol
LogP1.45
Rot. Bonds3

About [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124889969) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124889969
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@]2(O)CCN(C(=O)[C@H]3CCN(C4CCCCC4)C3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-13-19-17(25-20-13)18(24)8-10-22(12-18)16(23)14-7-9-21(11-14)15-5-3-2-4-6-15/h14-15,24H,2-12H2,1H3/t14-,18+/m0/s1
InChIKeyLDLVDQOTYZELRU-KBXCAEBGSA-N
XLogP1.45
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
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(3S)-N-(2,3-dimethylphenyl)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 100640883
azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
CID 146279257
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 167862030
(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
CID 100644680
1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129004426
3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 119035617
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 119035597
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144770
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97422280

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 124889969) is [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc([C@@]2(O)CCN(C(=O)[C@H]3CCN(C4CCCCC4)C3)C2)n1.
What is the InChIKey of [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LDLVDQOTYZELRU-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-19-17(25-20-13)18(24)8-10-22(12-18)16(23)14-7-9-21(11-14)15-5-3-2-4-6-15/h14-15,24H,2-12H2,1H3/t14-,18+/m0/s1.
What are the key properties of [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124889969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).