2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

C13H22N4O2 — CID 53195189

IUPAC2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCN(C)CC2)c(C)o1
InChIInChI=1S/C13H22N4O2/c1-10-12(15-11(2)19-10)13(18)14-4-5-17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,18)
InChIKeyUYUHYZFXHGETDE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.27
Rot. Bonds4

About 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195189) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID53195189
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCN(C)CC2)c(C)o1
InChIInChI=1S/C13H22N4O2/c1-10-12(15-11(2)19-10)13(18)14-4-5-17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,18)
InChIKeyUYUHYZFXHGETDE-UHFFFAOYSA-N
XLogP0.27
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 53195189) is 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCN2CCN(C)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UYUHYZFXHGETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-12(15-11(2)19-10)13(18)14-4-5-17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,18).
What are the key properties of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).