3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole

C12H21N3O — CID 23006360

IUPAC3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
SMILESCc1noc(C)c1CCCN1CCNCC1
InChIInChI=1S/C12H21N3O/c1-10-12(11(2)16-14-10)4-3-7-15-8-5-13-6-9-15/h13H,3-9H2,1-2H3
InChIKeyCNGFXZYEDZXADE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.13
Rot. Bonds4

About 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole

3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole (PubChem CID 23006360) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
PubChem CID23006360
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
SMILESCc1noc(C)c1CCCN1CCNCC1
InChIInChI=1S/C12H21N3O/c1-10-12(11(2)16-14-10)4-3-7-15-8-5-13-6-9-15/h13H,3-9H2,1-2H3
InChIKeyCNGFXZYEDZXADE-UHFFFAOYSA-N
XLogP1.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 141146127
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391073
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
1-[3-(azepan-1-yl)propyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 111765785
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
CID 171913674
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806660
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole (CID 23006360) is 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole is Cc1noc(C)c1CCCN1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The InChIKey is CNGFXZYEDZXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-12(11(2)16-14-10)4-3-7-15-8-5-13-6-9-15/h13H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole?
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole has a molecular weight of 223.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole is sourced from PubChem (CID 23006360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).