2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone

C14H17ClN4O2 — CID 95569054

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
SMILESCc1noc(Cl)c1CC(=O)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C14H17ClN4O2/c1-10-12(14(15)21-17-10)7-13(20)18-5-2-3-11(8-18)19-6-4-16-9-19/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyPGRVGPDKGOLBLE-NSHDSACASA-N
MW308.77 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone (PubChem CID 95569054) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
PubChem CID95569054
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
SMILESCc1noc(Cl)c1CC(=O)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C14H17ClN4O2/c1-10-12(14(15)21-17-10)7-13(20)18-5-2-3-11(8-18)19-6-4-16-9-19/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyPGRVGPDKGOLBLE-NSHDSACASA-N
XLogP2.24
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768590
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569090
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569091
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 95345962
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]ethanone
CID 110126886
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95736318
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95312178

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone (CID 95569054) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone is Cc1noc(Cl)c1CC(=O)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The InChIKey is PGRVGPDKGOLBLE-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-10-12(14(15)21-17-10)7-13(20)18-5-2-3-11(8-18)19-6-4-16-9-19/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone has a molecular weight of 308.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95569054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).