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

C20H30N4O — CID 84586533

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine
SMILESCCCN1CCN(c2ccccc2CNCc2c(C)noc2C)CC1
InChIInChI=1S/C20H30N4O/c1-4-9-23-10-12-24(13-11-23)20-8-6-5-7-18(20)14-21-15-19-16(2)22-25-17(19)3/h5-8,21H,4,9-15H2,1-3H3
InChIKeyPAJIGPPPUZJDGX-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.11
Rot. Bonds7

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine (PubChem CID 84586533) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine
PubChem CID84586533
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine
SMILESCCCN1CCN(c2ccccc2CNCc2c(C)noc2C)CC1
InChIInChI=1S/C20H30N4O/c1-4-9-23-10-12-24(13-11-23)20-8-6-5-7-18(20)14-21-15-19-16(2)22-25-17(19)3/h5-8,21H,4,9-15H2,1-3H3
InChIKeyPAJIGPPPUZJDGX-UHFFFAOYSA-N
XLogP3.11
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine (CID 84586533) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine is CCCN1CCN(c2ccccc2CNCc2c(C)noc2C)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is PAJIGPPPUZJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-9-23-10-12-24(13-11-23)20-8-6-5-7-18(20)14-21-15-19-16(2)22-25-17(19)3/h5-8,21H,4,9-15H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 342.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 84586533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).