2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C20H21FN4O2 — CID 135719726

IUPAC2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cn[nH]c2C2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)17-11-22-23-20(17)15-3-2-8-25(12-15)19(26)10-14-4-6-16(21)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,22,23)
InChIKeyIQMQOWWSTRBZCV-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 135719726) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID135719726
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cn[nH]c2C2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)17-11-22-23-20(17)15-3-2-8-25(12-15)19(26)10-14-4-6-16(21)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,22,23)
InChIKeyIQMQOWWSTRBZCV-UHFFFAOYSA-N
XLogP3.46
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 136691315
2-(4-fluorophenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670305
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 136798263
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095
5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679
2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 136680740
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
1-[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42431396
3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136673309

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 135719726) is 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2cn[nH]c2C2CCCN(C(=O)Cc3ccc(F)cc3)C2)on1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is IQMQOWWSTRBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)17-11-22-23-20(17)15-3-2-8-25(12-15)19(26)10-14-4-6-16(21)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 368.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 135719726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).