[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

C17H25N3O3 — CID 92633386

IUPAC[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1noc(C)c1C(=O)N1CC[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C17H25N3O3/c1-3-14-15(12(2)23-18-14)17(22)20-10-7-13(11-20)16(21)19-8-5-4-6-9-19/h13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyTXTSUTZWOGNTKY-ZDUSSCGKSA-N
MW319.41 g/mol
LogP2.02
Rot. Bonds3

About [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 92633386) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID92633386
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1noc(C)c1C(=O)N1CC[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C17H25N3O3/c1-3-14-15(12(2)23-18-14)17(22)20-10-7-13(11-20)16(21)19-8-5-4-6-9-19/h13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyTXTSUTZWOGNTKY-ZDUSSCGKSA-N
XLogP2.02
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75513671
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125010254
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
4-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]-1-prop-2-enylpyrrolidin-2-one
CID 137340669
N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124960336
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156467

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 92633386) is [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is CCc1noc(C)c1C(=O)N1CC[C@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is TXTSUTZWOGNTKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-14-15(12(2)23-18-14)17(22)20-10-7-13(11-20)16(21)19-8-5-4-6-9-19/h13H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92633386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).