2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

C13H22N4O2 — CID 104579640

IUPAC2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cnc(C(C)NCC(=O)N2CCN(C)CC2)o1
InChIInChI=1S/C13H22N4O2/c1-10-8-15-13(19-10)11(2)14-9-12(18)17-6-4-16(3)5-7-17/h8,11,14H,4-7,9H2,1-3H3
InChIKeyCCRXKYFVFHVPET-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds4

About 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 104579640) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID104579640
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cnc(C(C)NCC(=O)N2CCN(C)CC2)o1
InChIInChI=1S/C13H22N4O2/c1-10-8-15-13(19-10)11(2)14-9-12(18)17-6-4-16(3)5-7-17/h8,11,14H,4-7,9H2,1-3H3
InChIKeyCCRXKYFVFHVPET-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-4-amine
CID 103893746
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 104579640) is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is Cc1cnc(C(C)NCC(=O)N2CCN(C)CC2)o1.
What is the InChIKey of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is CCRXKYFVFHVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-8-15-13(19-10)11(2)14-9-12(18)17-6-4-16(3)5-7-17/h8,11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 104579640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).