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

C14H26N4O — CID 115084664

IUPACN-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCNCCCc1coc(CCN2CCN(C)CC2)n1
InChIInChI=1S/C14H26N4O/c1-15-6-3-4-13-12-19-14(16-13)5-7-18-10-8-17(2)9-11-18/h12,15H,3-11H2,1-2H3
InChIKeyCVIPLCKYWOOHKQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.62
Rot. Bonds7

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

N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115084664) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115084664
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCNCCCc1coc(CCN2CCN(C)CC2)n1
InChIInChI=1S/C14H26N4O/c1-15-6-3-4-13-12-19-14(16-13)5-7-18-10-8-17(2)9-11-18/h12,15H,3-11H2,1-2H3
InChIKeyCVIPLCKYWOOHKQ-UHFFFAOYSA-N
XLogP0.62
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115084664) is N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine is CNCCCc1coc(CCN2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is CVIPLCKYWOOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-15-6-3-4-13-12-19-14(16-13)5-7-18-10-8-17(2)9-11-18/h12,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine?
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115084664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).