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

C14H23N3O — CID 106376640

IUPAC2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CC(C3CC3)NCC2C)o1
InChIInChI=1S/C14H23N3O/c1-3-12-7-16-14(18-12)9-17-8-13(11-4-5-11)15-6-10(17)2/h7,10-11,13,15H,3-6,8-9H2,1-2H3
InChIKeyDDCRRRDKYQADPE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds4

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

2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (PubChem CID 106376640) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
PubChem CID106376640
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CC(C3CC3)NCC2C)o1
InChIInChI=1S/C14H23N3O/c1-3-12-7-16-14(18-12)9-17-8-13(11-4-5-11)15-6-10(17)2/h7,10-11,13,15H,3-6,8-9H2,1-2H3
InChIKeyDDCRRRDKYQADPE-UHFFFAOYSA-N
XLogP1.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376587
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (CID 106376640) is 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is CCc1cnc(CN2CC(C3CC3)NCC2C)o1.
What is the InChIKey of 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The InChIKey is DDCRRRDKYQADPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-12-7-16-14(18-12)9-17-8-13(11-4-5-11)15-6-10(17)2/h7,10-11,13,15H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole has a molecular weight of 249.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106376640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).