[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone

C21H24N4O2 — CID 72841576

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(C)(c4ccccc4)C3)no2)cnn1C
InChIInChI=1S/C21H24N4O2/c1-15-17(13-22-24(15)3)19-12-18(23-27-19)20(26)25-11-7-10-21(2,14-25)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3
InChIKeyAOHCRLJUFAYNTP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds3

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone (PubChem CID 72841576) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
PubChem CID72841576
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(C)(c4ccccc4)C3)no2)cnn1C
InChIInChI=1S/C21H24N4O2/c1-15-17(13-22-24(15)3)19-12-18(23-27-19)20(26)25-11-7-10-21(2,14-25)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3
InChIKeyAOHCRLJUFAYNTP-UHFFFAOYSA-N
XLogP3.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 46968410
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 99123471
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70777701
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257

Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone (CID 72841576) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone is Cc1c(-c2cc(C(=O)N3CCCC(C)(c4ccccc4)C3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The InChIKey is AOHCRLJUFAYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-17(13-22-24(15)3)19-12-18(23-27-19)20(26)25-11-7-10-21(2,14-25)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 72841576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).