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

C20H21FN4O2 — CID 135719725

IUPAC2-(2-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)Cc3ccccc3F)C2)on1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)16-11-22-23-20(16)15-6-4-8-25(12-15)19(26)10-14-5-2-3-7-17(14)21/h2-3,5,7,9,11,15H,4,6,8,10,12H2,1H3,(H,22,23)
InChIKeyGBPSSOYHTWJTLS-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 135719725) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID135719725
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(2-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)Cc3ccccc3F)C2)on1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)16-11-22-23-20(16)15-6-4-8-25(12-15)19(26)10-14-5-2-3-7-17(14)21/h2-3,5,7,9,11,15H,4,6,8,10,12H2,1H3,(H,22,23)
InChIKeyGBPSSOYHTWJTLS-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 135719725) is 2-(2-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-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-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)Cc3ccccc3F)C2)on1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is GBPSSOYHTWJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-9-18(27-24-13)16-11-22-23-20(16)15-6-4-8-25(12-15)19(26)10-14-5-2-3-7-17(14)21/h2-3,5,7,9,11,15H,4,6,8,10,12H2,1H3,(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(2-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-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 135719725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).