[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C20H22N4O3 — CID 122703636

IUPAC[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1
InChIInChI=1S/C20H22N4O3/c1-14-21-13-18(27-14)20(26)23-11-8-16(9-12-23)19(25)24-17(7-10-22-24)15-5-3-2-4-6-15/h2-6,10,13,16-17H,7-9,11-12H2,1H3
InChIKeyUJALGBZJYLXCBB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.79
Rot. Bonds3

About [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703636) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703636
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1
InChIInChI=1S/C20H22N4O3/c1-14-21-13-18(27-14)20(26)23-11-8-16(9-12-23)19(25)24-17(7-10-22-24)15-5-3-2-4-6-15/h2-6,10,13,16-17H,7-9,11-12H2,1H3
InChIKeyUJALGBZJYLXCBB-UHFFFAOYSA-N
XLogP2.79
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703636) is [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is Cc1ncc(C(=O)N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1.
What is the InChIKey of [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is UJALGBZJYLXCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-21-13-18(27-14)20(26)23-11-8-16(9-12-23)19(25)24-17(7-10-22-24)15-5-3-2-4-6-15/h2-6,10,13,16-17H,7-9,11-12H2,1H3.
What are the key properties of [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).