[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C14H23N3O2 — CID 124574903

IUPAC[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCC[C@@H](NC)C2)on1
InChIInChI=1S/C14H23N3O2/c1-4-10(2)12-8-13(19-16-12)14(18)17-7-5-6-11(9-17)15-3/h8,10-11,15H,4-7,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyXIDLBHXXKLGGON-WDEREUQCSA-N
MW265.36 g/mol
LogP2.01
Rot. Bonds4

About [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124574903) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124574903
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCC[C@@H](NC)C2)on1
InChIInChI=1S/C14H23N3O2/c1-4-10(2)12-8-13(19-16-12)14(18)17-7-5-6-11(9-17)15-3/h8,10-11,15H,4-7,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyXIDLBHXXKLGGON-WDEREUQCSA-N
XLogP2.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
CID 129414739
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 119041972
[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]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542508
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683417
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683414
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124574903) is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](NC)C2)on1.
What is the InChIKey of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is XIDLBHXXKLGGON-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-10(2)12-8-13(19-16-12)14(18)17-7-5-6-11(9-17)15-3/h8,10-11,15H,4-7,9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124574903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).