[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C16H20N4O3 — CID 119410766

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCCc1nc(COc2ccc(C(=O)N3CC[C@@H](N)C3)cc2)no1
InChIInChI=1S/C16H20N4O3/c1-2-15-18-14(19-23-15)10-22-13-5-3-11(4-6-13)16(21)20-8-7-12(17)9-20/h3-6,12H,2,7-10,17H2,1H3/t12-/m1/s1
InChIKeyMRMKDRJWUXHKCB-GFCCVEGCSA-N
MW316.36 g/mol
LogP1.38
Rot. Bonds5

About [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 119410766) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID119410766
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCCc1nc(COc2ccc(C(=O)N3CC[C@@H](N)C3)cc2)no1
InChIInChI=1S/C16H20N4O3/c1-2-15-18-14(19-23-15)10-22-13-5-3-11(4-6-13)16(21)20-8-7-12(17)9-20/h3-6,12H,2,7-10,17H2,1H3/t12-/m1/s1
InChIKeyMRMKDRJWUXHKCB-GFCCVEGCSA-N
XLogP1.38
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119467487
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
2-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210708
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 119410766) is [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is CCc1nc(COc2ccc(C(=O)N3CC[C@@H](N)C3)cc2)no1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is MRMKDRJWUXHKCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-15-18-14(19-23-15)10-22-13-5-3-11(4-6-13)16(21)20-8-7-12(17)9-20/h3-6,12H,2,7-10,17H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 316.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 119410766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).