[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone

C18H23N3O3 — CID 96542508

IUPAC[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)on1
InChIInChI=1S/C18H23N3O3/c1-3-13(2)16-10-17(24-20-16)18(22)21-9-7-15(11-21)23-12-14-6-4-5-8-19-14/h4-6,8,10,13,15H,3,7,9,11-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyUUMXIRHMZCCDJA-ZFWWWQNUSA-N
MW329.40 g/mol
LogP3.01
Rot. Bonds6

About [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone (PubChem CID 96542508) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
PubChem CID96542508
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)on1
InChIInChI=1S/C18H23N3O3/c1-3-13(2)16-10-17(24-20-16)18(22)21-9-7-15(11-21)23-12-14-6-4-5-8-19-14/h4-6,8,10,13,15H,3,7,9,11-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyUUMXIRHMZCCDJA-ZFWWWQNUSA-N
XLogP3.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542510
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542506
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97271568

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone (CID 96542508) is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone is CC[C@H](C)c1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)on1.
What is the InChIKey of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is UUMXIRHMZCCDJA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-13(2)16-10-17(24-20-16)18(22)21-9-7-15(11-21)23-12-14-6-4-5-8-19-14/h4-6,8,10,13,15H,3,7,9,11-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96542508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).