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

C19H20N4O3 — CID 122703596

IUPAC[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cnco1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(23-16(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)17-12-20-13-26-17/h1-5,9,12-13,15-16H,6-8,10-11H2
InChIKeyVVLNGWCYAMNGSA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds3

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

[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703596) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703596
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cnco1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(23-16(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)17-12-20-13-26-17/h1-5,9,12-13,15-16H,6-8,10-11H2
InChIKeyVVLNGWCYAMNGSA-UHFFFAOYSA-N
XLogP2.49
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703596) is [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1cnco1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is VVLNGWCYAMNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(23-16(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)17-12-20-13-26-17/h1-5,9,12-13,15-16H,6-8,10-11H2.
What are the key properties of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).