2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid

C19H20N4O4 — CID 134521819

IUPAC2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1
InChIInChI=1S/C19H20N4O4/c24-17(23-15(6-9-21-23)13-4-2-1-3-5-13)14-7-10-22(11-8-14)19-20-12-16(27-19)18(25)26/h1-5,9,12,14-15H,6-8,10-11H2,(H,25,26)
InChIKeyHLMKINLCLSOSQB-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.55
Rot. Bonds4

About 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid

2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid (PubChem CID 134521819) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
PubChem CID134521819
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1
InChIInChI=1S/C19H20N4O4/c24-17(23-15(6-9-21-23)13-4-2-1-3-5-13)14-7-10-22(11-8-14)19-20-12-16(27-19)18(25)26/h1-5,9,12,14-15H,6-8,10-11H2,(H,25,26)
InChIKeyHLMKINLCLSOSQB-UHFFFAOYSA-N
XLogP2.55
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid (CID 134521819) is 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)o1.
What is the InChIKey of 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is HLMKINLCLSOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17(23-15(6-9-21-23)13-4-2-1-3-5-13)14-7-10-22(11-8-14)19-20-12-16(27-19)18(25)26/h1-5,9,12,14-15H,6-8,10-11H2,(H,25,26).
What are the key properties of 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 134521819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).