[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

C18H21N3O3 — CID 70779809

IUPAC[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)c3cccnc3)C2)no1
InChIInChI=1S/C18H21N3O3/c1-12(2)16-9-15(20-24-16)18(23)21-8-4-6-14(11-21)17(22)13-5-3-7-19-10-13/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3
InChIKeyXYSAUZNBAVHTOW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds4

About [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (PubChem CID 70779809) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
PubChem CID70779809
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)c3cccnc3)C2)no1
InChIInChI=1S/C18H21N3O3/c1-12(2)16-9-15(20-24-16)18(23)21-8-4-6-14(11-21)17(22)13-5-3-7-19-10-13/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3
InChIKeyXYSAUZNBAVHTOW-UHFFFAOYSA-N
XLogP2.93
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 97127277
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 51510402

Frequently Asked Questions

What is the IUPAC name of [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (CID 70779809) is [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is CC(C)c1cc(C(=O)N2CCCC(C(=O)c3cccnc3)C2)no1.
What is the InChIKey of [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is XYSAUZNBAVHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)16-9-15(20-24-16)18(23)21-8-4-6-14(11-21)17(22)13-5-3-7-19-10-13/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3.
What are the key properties of [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 70779809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).