4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole

C14H23N3O — CID 171700812

IUPAC4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C14H23N3O/c1-2-4-14(5-3-1)17-8-6-16(7-9-17)10-13-11-18-12-15-13/h11-12,14H,1-10H2
InChIKeyVDLZKBANYVZVKD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds3

About 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole

4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 171700812) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID171700812
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C14H23N3O/c1-2-4-14(5-3-1)17-8-6-16(7-9-17)10-13-11-18-12-15-13/h11-12,14H,1-10H2
InChIKeyVDLZKBANYVZVKD-UHFFFAOYSA-N
XLogP2.12
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole (CID 171700812) is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole is c1nc(CN2CCN(C3CCCCC3)CC2)co1.
What is the InChIKey of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is VDLZKBANYVZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-14(5-3-1)17-8-6-16(7-9-17)10-13-11-18-12-15-13/h11-12,14H,1-10H2.
What are the key properties of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 249.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 171700812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).