2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

C20H20N4O4 — CID 56710651

IUPAC2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n[nH]1
InChIInChI=1S/C20H20N4O4/c25-19(26)11-15-10-16(22-21-15)13-6-8-24(9-7-13)20(27)17-12-18(28-23-17)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,21,22)(H,25,26)
InChIKeyULRAFJMKWUIQKU-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (PubChem CID 56710651) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
PubChem CID56710651
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n[nH]1
InChIInChI=1S/C20H20N4O4/c25-19(26)11-15-10-16(22-21-15)13-6-8-24(9-7-13)20(27)17-12-18(28-23-17)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,21,22)(H,25,26)
InChIKeyULRAFJMKWUIQKU-UHFFFAOYSA-N
XLogP2.71
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
2-[3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 118782975
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
2-[3-[1-(2,8-dimethylquinoline-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710759
2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56721249
2-[3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56715583

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (CID 56710651) is 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is O=C(O)Cc1cc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n[nH]1.
What is the InChIKey of 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The InChIKey is ULRAFJMKWUIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-19(26)11-15-10-16(22-21-15)13-6-8-24(9-7-13)20(27)17-12-18(28-23-17)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,21,22)(H,25,26).
What are the key properties of 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid has a molecular weight of 380.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 56710651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).