N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C19H20FN5O2 — CID 136680740

IUPACN-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cn[nH]c2C2CCN(C(=O)Nc3ccccc3F)CC2)on1
InChIInChI=1S/C19H20FN5O2/c1-12-10-17(27-24-12)14-11-21-23-18(14)13-6-8-25(9-7-13)19(26)22-16-5-3-2-4-15(16)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,23)(H,22,26)
InChIKeySICVBKAHTHIESE-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.92
Rot. Bonds3

About N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 136680740) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID136680740
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cn[nH]c2C2CCN(C(=O)Nc3ccccc3F)CC2)on1
InChIInChI=1S/C19H20FN5O2/c1-12-10-17(27-24-12)14-11-21-23-18(14)13-6-8-25(9-7-13)19(26)22-16-5-3-2-4-15(16)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,23)(H,22,26)
InChIKeySICVBKAHTHIESE-UHFFFAOYSA-N
XLogP3.92
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 135719726
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 121115073
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763355
2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 136680740) is N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is Cc1cc(-c2cn[nH]c2C2CCN(C(=O)Nc3ccccc3F)CC2)on1.
What is the InChIKey of N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is SICVBKAHTHIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-10-17(27-24-12)14-11-21-23-18(14)13-6-8-25(9-7-13)19(26)22-16-5-3-2-4-15(16)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 136680740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).