[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone

C21H24N4O2 — CID 126782330

IUPAC[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1
InChIInChI=1S/C21H24N4O2/c1-14-6-4-5-7-18(14)16-8-10-25(11-9-16)21(26)19-15(2)27-20(23-19)17-12-22-24(3)13-17/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyYWYSSQGZLDLKIJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.71
Rot. Bonds3

About [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone

[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 126782330) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID126782330
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1
InChIInChI=1S/C21H24N4O2/c1-14-6-4-5-7-18(14)16-8-10-25(11-9-16)21(26)19-15(2)27-20(23-19)17-12-22-24(3)13-17/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyYWYSSQGZLDLKIJ-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 120818131
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124614105
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 139011651
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 139011742
(3aS,6aR)-2-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682073
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 136546980
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 138992941
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470340
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 138034460
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone (CID 126782330) is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone is Cc1ccccc1C1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1.
What is the InChIKey of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is YWYSSQGZLDLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-6-4-5-7-18(14)16-8-10-25(11-9-16)21(26)19-15(2)27-20(23-19)17-12-22-24(3)13-17/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone?
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126782330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).