3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C18H28N4O2 — CID 95787176

IUPAC3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)no1
InChIInChI=1S/C18H28N4O2/c1-13-10-15(20-24-13)12-21-6-8-22(9-7-21)14(2)17-19-11-16(23-17)18(3,4)5/h10-11,14H,6-9,12H2,1-5H3/t14-/m1/s1
InChIKeyINBHVEREWRAOPY-CQSZACIVSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds4

About 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 95787176) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID95787176
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)no1
InChIInChI=1S/C18H28N4O2/c1-13-10-15(20-24-13)12-21-6-8-22(9-7-21)14(2)17-19-11-16(23-17)18(3,4)5/h10-11,14H,6-9,12H2,1-5H3/t14-/m1/s1
InChIKeyINBHVEREWRAOPY-CQSZACIVSA-N
XLogP3.15
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 95787176) is 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)no1.
What is the InChIKey of 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is INBHVEREWRAOPY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-10-15(20-24-13)12-21-6-8-22(9-7-21)14(2)17-19-11-16(23-17)18(3,4)5/h10-11,14H,6-9,12H2,1-5H3/t14-/m1/s1.
What are the key properties of 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 332.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 95787176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).