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

C18H19N5O — CID 18167942

IUPAC5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCN(c4cnccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-2-4-15(5-3-1)16-12-21-18(24-16)14-22-8-10-23(11-9-22)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2
InChIKeyRDLZVSFIXSXLOE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds4

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

5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 18167942) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID18167942
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCN(c4cnccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-2-4-15(5-3-1)16-12-21-18(24-16)14-22-8-10-23(11-9-22)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2
InChIKeyRDLZVSFIXSXLOE-UHFFFAOYSA-N
XLogP2.45
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903258
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 47543081
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119882164
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18136751

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 18167942) is 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is c1ccc(-c2cnc(CN3CCN(c4cnccn4)CC3)o2)cc1.
What is the InChIKey of 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is RDLZVSFIXSXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-4-15(5-3-1)16-12-21-18(24-16)14-22-8-10-23(11-9-22)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 321.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 18167942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).