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

C19H20N4O — CID 8616101

IUPAC5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCN(c4ccccn4)CC3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-6-16(7-3-1)18-14-17(21-24-18)15-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h1-9,14H,10-13,15H2
InChIKeyIIPHFLSFCZZAOM-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.06
Rot. Bonds4

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

5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 8616101) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID8616101
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCN(c4ccccn4)CC3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-6-16(7-3-1)18-14-17(21-24-18)15-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h1-9,14H,10-13,15H2
InChIKeyIIPHFLSFCZZAOM-UHFFFAOYSA-N
XLogP3.06
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one
CID 135454951
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
N-ethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219766
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 10193294
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 8616101) is 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is c1ccc(-c2cc(CN3CCN(c4ccccn4)CC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is IIPHFLSFCZZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-6-16(7-3-1)18-14-17(21-24-18)15-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h1-9,14H,10-13,15H2.
What are the key properties of 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 320.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 8616101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).