[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone

C20H19ClN4O3 — CID 95799609

IUPAC[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C20H19ClN4O3/c1-24-17(6-9-22-24)19(26)13-7-10-25(11-8-13)20(27)16-12-18(28-23-16)14-4-2-3-5-15(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyGJEIPBJNEJMLND-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.46
Rot. Bonds4

About [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone

[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 95799609) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID95799609
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C20H19ClN4O3/c1-24-17(6-9-22-24)19(26)13-7-10-25(11-8-13)20(27)16-12-18(28-23-16)14-4-2-3-5-15(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyGJEIPBJNEJMLND-UHFFFAOYSA-N
XLogP3.46
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893801

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 95799609) is [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1.
What is the InChIKey of [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is GJEIPBJNEJMLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-24-17(6-9-22-24)19(26)13-7-10-25(11-8-13)20(27)16-12-18(28-23-16)14-4-2-3-5-15(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 398.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95799609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).