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

C17H24N4O — CID 166305250

IUPAC[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C)c(N2CCN(Cc3cc(CN)on3)CC2)c1
InChIInChI=1S/C17H24N4O/c1-13-3-4-14(2)17(9-13)21-7-5-20(6-8-21)12-15-10-16(11-18)22-19-15/h3-4,9-10H,5-8,11-12,18H2,1-2H3
InChIKeyDMTFVOAXYCIUML-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.07
Rot. Bonds4

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

[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine (PubChem CID 166305250) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
PubChem CID166305250
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C)c(N2CCN(Cc3cc(CN)on3)CC2)c1
InChIInChI=1S/C17H24N4O/c1-13-3-4-14(2)17(9-13)21-7-5-20(6-8-21)12-15-10-16(11-18)22-19-15/h3-4,9-10H,5-8,11-12,18H2,1-2H3
InChIKeyDMTFVOAXYCIUML-UHFFFAOYSA-N
XLogP2.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine (CID 166305250) is [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine is Cc1ccc(C)c(N2CCN(Cc3cc(CN)on3)CC2)c1.
What is the InChIKey of [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine?
The InChIKey is DMTFVOAXYCIUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-3-4-14(2)17(9-13)21-7-5-20(6-8-21)12-15-10-16(11-18)22-19-15/h3-4,9-10H,5-8,11-12,18H2,1-2H3.
What are the key properties of [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine?
[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 166305250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).