[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine

C16H22N4O — CID 80505307

IUPAC[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ncc(-c3ccccc3)o2)C(CN)C1
InChIInChI=1S/C16H22N4O/c1-19-7-8-20(14(9-17)11-19)12-16-18-10-15(21-16)13-5-3-2-4-6-13/h2-6,10,14H,7-9,11-12,17H2,1H3
InChIKeyHGXVFUKHICCJIF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds4

About [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine

[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine (PubChem CID 80505307) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
PubChem CID80505307
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ncc(-c3ccccc3)o2)C(CN)C1
InChIInChI=1S/C16H22N4O/c1-19-7-8-20(14(9-17)11-19)12-16-18-10-15(21-16)13-5-3-2-4-6-13/h2-6,10,14H,7-9,11-12,17H2,1H3
InChIKeyHGXVFUKHICCJIF-UHFFFAOYSA-N
XLogP1.42
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
CID 66210190
[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504615
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 56781724
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
CID 80503449
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80703416

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine (CID 80505307) is [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine is CN1CCN(Cc2ncc(-c3ccccc3)o2)C(CN)C1.
What is the InChIKey of [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine?
The InChIKey is HGXVFUKHICCJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-7-8-20(14(9-17)11-19)12-16-18-10-15(21-16)13-5-3-2-4-6-13/h2-6,10,14H,7-9,11-12,17H2,1H3.
What are the key properties of [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80505307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).