5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

C20H21FN4O — CID 8620500

IUPAC5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1c(CN2CCN(c3ccccn3)CC2)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-15-18(23-26-20(15)16-5-7-17(21)8-6-16)14-24-10-12-25(13-11-24)19-4-2-3-9-22-19/h2-9H,10-14H2,1H3
InChIKeyCIEUNBYIBJZLOO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.51
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 8620500) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID8620500
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1c(CN2CCN(c3ccccn3)CC2)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-15-18(23-26-20(15)16-5-7-17(21)8-6-16)14-24-10-12-25(13-11-24)19-4-2-3-9-22-19/h2-9H,10-14H2,1H3
InChIKeyCIEUNBYIBJZLOO-UHFFFAOYSA-N
XLogP3.51
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-ethyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677902
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-(3-fluoropropyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677922
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-propan-2-yl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677990
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-propyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677991
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145450383
US11306078, Example 4.102
CID 141677910
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416
(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611
1-(3-{1-[(5-Ethylisoxazol-3-yl)carbonyl]piperidin-3-yl}propanoyl)-4-pyridin-2-ylpiperazine
CID 16192136
1-[5-(3-Methyl-1,2-oxazol-5-YL)-2-(propan-2-YL)benzenesulfonyl]-4-(pyridin-2-YL)piperazine
CID 20936505

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 8620500) is 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is Cc1c(CN2CCN(c3ccccn3)CC2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is CIEUNBYIBJZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-15-18(23-26-20(15)16-5-7-17(21)8-6-16)14-24-10-12-25(13-11-24)19-4-2-3-9-22-19/h2-9H,10-14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 352.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 8620500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).