2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole

C10H16ClN3O — CID 84693175

IUPAC2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
SMILESCc1nc(Cl)oc1CCN1CCNCC1
InChIInChI=1S/C10H16ClN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3
InChIKeyOXUFOJYBWNAVJU-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.08
Rot. Bonds3

About 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole

2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole (PubChem CID 84693175) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
PubChem CID84693175
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
SMILESCc1nc(Cl)oc1CCN1CCNCC1
InChIInChI=1S/C10H16ClN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3
InChIKeyOXUFOJYBWNAVJU-UHFFFAOYSA-N
XLogP1.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84713876
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82481291
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448
5-chloro-4,6-dimethyl-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097785
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole (CID 84693175) is 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole is Cc1nc(Cl)oc1CCN1CCNCC1.
What is the InChIKey of 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The InChIKey is OXUFOJYBWNAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole has a molecular weight of 229.71 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 84693175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).