5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole

C18H26N4O — CID 71918132

IUPAC5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H26N4O/c1-14(17-20-13-16(23-17)18(2,3)4)21-9-11-22(12-10-21)15-5-7-19-8-6-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyDUXOSCJXOLUFPZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.25
Rot. Bonds3

About 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole

5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole (PubChem CID 71918132) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
PubChem CID71918132
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H26N4O/c1-14(17-20-13-16(23-17)18(2,3)4)21-9-11-22(12-10-21)15-5-7-19-8-6-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyDUXOSCJXOLUFPZ-UHFFFAOYSA-N
XLogP3.25
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 97220182
5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
CID 110454906
3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95787176
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
1-pentan-3-yl-4-pyridin-4-ylpiperazine
CID 20735179
(E,2S)-5,5-dimethyl-2-(4-pyridin-4-ylpiperazin-1-yl)hex-3-enoic acid
CID 97199968
2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
4-pyrrolidin-1-ylpyridine
CID 158456628
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine
CID 99828945

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole (CID 71918132) is 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole is CC(c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole?
The InChIKey is DUXOSCJXOLUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(17-20-13-16(23-17)18(2,3)4)21-9-11-22(12-10-21)15-5-7-19-8-6-15/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole?
5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole has a molecular weight of 314.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 71918132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).