5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole

C13H23N3O — CID 106389972

IUPAC5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCCCC1CN(C(C)c2ncc(C)o2)CCN1
InChIInChI=1S/C13H23N3O/c1-4-5-12-9-16(7-6-14-12)11(3)13-15-8-10(2)17-13/h8,11-12,14H,4-7,9H2,1-3H3
InChIKeyGHLHUSYPFBTGKJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds4

About 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole

5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole (PubChem CID 106389972) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
PubChem CID106389972
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCCCC1CN(C(C)c2ncc(C)o2)CCN1
InChIInChI=1S/C13H23N3O/c1-4-5-12-9-16(7-6-14-12)11(3)13-15-8-10(2)17-13/h8,11-12,14H,4-7,9H2,1-3H3
InChIKeyGHLHUSYPFBTGKJ-UHFFFAOYSA-N
XLogP2.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64925498
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389939
5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
CID 106389948
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propylpiperidin-3-amine
CID 114182566
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 103895042
1-heptan-2-yl-3-propylpiperazine
CID 64924539
(3aR,7aS)-1-methyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 136581874
1-[1-(5-methylthiophen-2-yl)ethyl]-3-propyl-1,4-diazepane
CID 64942657
2-[1-(6,9-diazaspiro[4.5]decan-9-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389916
2-[1-(2-ethyl-5-methylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 114182571
5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 128906229
1-octan-4-yl-3-propylpiperazine
CID 114138506

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole (CID 106389972) is 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole is CCCC1CN(C(C)c2ncc(C)o2)CCN1.
What is the InChIKey of 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole?
The InChIKey is GHLHUSYPFBTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-12-9-16(7-6-14-12)11(3)13-15-8-10(2)17-13/h8,11-12,14H,4-7,9H2,1-3H3.
What are the key properties of 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole?
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole has a molecular weight of 237.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 106389972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).