[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone

C14H23N3O2 — CID 99946662

IUPAC[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone
SMILESCCc1oncc1C(=O)N1CC[C@@H](N(CC)CC)C1
InChIInChI=1S/C14H23N3O2/c1-4-13-12(9-15-19-13)14(18)17-8-7-11(10-17)16(5-2)6-3/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1
InChIKeyHNJDVIOZLRWILR-LLVKDONJSA-N
MW265.36 g/mol
LogP1.79
Rot. Bonds5

About [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone

[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone (PubChem CID 99946662) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone
PubChem CID99946662
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone
SMILESCCc1oncc1C(=O)N1CC[C@@H](N(CC)CC)C1
InChIInChI=1S/C14H23N3O2/c1-4-13-12(9-15-19-13)14(18)17-8-7-11(10-17)16(5-2)6-3/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1
InChIKeyHNJDVIOZLRWILR-LLVKDONJSA-N
XLogP1.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone (CID 99946662) is [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone is CCc1oncc1C(=O)N1CC[C@@H](N(CC)CC)C1.
What is the InChIKey of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is HNJDVIOZLRWILR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13-12(9-15-19-13)14(18)17-8-7-11(10-17)16(5-2)6-3/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone?
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 99946662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).