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

C19H20N4O3 — CID 155548887

IUPAC[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cnco1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)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/t16-/m0/s1
InChIKeyVVLNGWCYAMNGSA-INIZCTEOSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds3

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

[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 155548887) 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]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID155548887
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cnco1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)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/t16-/m0/s1
InChIKeyVVLNGWCYAMNGSA-INIZCTEOSA-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]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 155548887) is [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cnco1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1.
What is the InChIKey of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is VVLNGWCYAMNGSA-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of [1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-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]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 155548887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).