3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

C15H19N3O — CID 43348712

IUPAC3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCNCC3)on2)cc1
InChIInChI=1S/C15H19N3O/c1-12-2-4-13(5-3-12)15-10-14(19-17-15)11-18-8-6-16-7-9-18/h2-5,10,16H,6-9,11H2,1H3
InChIKeyIHQMXWCYFRDTMP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.06
Rot. Bonds3

About 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 43348712) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID43348712
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCNCC3)on2)cc1
InChIInChI=1S/C15H19N3O/c1-12-2-4-13(5-3-12)15-10-14(19-17-15)11-18-8-6-16-7-9-18/h2-5,10,16H,6-9,11H2,1H3
InChIKeyIHQMXWCYFRDTMP-UHFFFAOYSA-N
XLogP2.06
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62372265
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43348682
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
CID 81493074
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 86774588
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (CID 43348712) is 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is Cc1ccc(-c2cc(CN3CCNCC3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is IHQMXWCYFRDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-2-4-13(5-3-12)15-10-14(19-17-15)11-18-8-6-16-7-9-18/h2-5,10,16H,6-9,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 43348712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).