N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine

C11H20N4O — CID 83022329

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCc1nc(CNN2CCN(C)CC2)oc1C
InChIInChI=1S/C11H20N4O/c1-9-10(2)16-11(13-9)8-12-15-6-4-14(3)5-7-15/h12H,4-8H2,1-3H3
InChIKeyMXYIHICNVFVAMM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.54
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83022329) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID83022329
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCc1nc(CNN2CCN(C)CC2)oc1C
InChIInChI=1S/C11H20N4O/c1-9-10(2)16-11(13-9)8-12-15-6-4-14(3)5-7-15/h12H,4-8H2,1-3H3
InChIKeyMXYIHICNVFVAMM-UHFFFAOYSA-N
XLogP0.54
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine (CID 83022329) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine is Cc1nc(CNN2CCN(C)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is MXYIHICNVFVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(2)16-11(13-9)8-12-15-6-4-14(3)5-7-15/h12H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83022329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).