4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole

C13H23N3O — CID 20659895

IUPAC4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCCc1nc(C)oc1CCN1CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-4-12-13(17-11(2)14-12)5-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3
InChIKeyROKFBEZOXDDUHQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.34
Rot. Bonds4

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

4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole (PubChem CID 20659895) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole
PubChem CID20659895
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCCc1nc(C)oc1CCN1CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-4-12-13(17-11(2)14-12)5-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3
InChIKeyROKFBEZOXDDUHQ-UHFFFAOYSA-N
XLogP1.34
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butyl-4,5-diethyloxazole
CID 525778
2,4-Diethyl-5-propyloxazole
CID 86003227
4,5-Diethyl-2-methyloxazole
CID 57112222
2,4,5-Triethyloxazole
CID 3016238
4-Methyl-2-trifluoromethyl-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridine
CID 67195172
4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 70258606
2-(4,4-Difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
CID 118297283
2-[4-Ethyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84015451
2-[4-ethyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-N-methylethanamine
CID 84016625
4-Methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
CID 84711062
Oxazole, 4-methyl-2,5-dipropyl
CID 528408
2-(4-Ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 20659897

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole (CID 20659895) is 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole is CCc1nc(C)oc1CCN1CCN(C)CC1.
What is the InChIKey of 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole?
The InChIKey is ROKFBEZOXDDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12-13(17-11(2)14-12)5-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole?
4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole has a molecular weight of 237.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 20659895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).