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

C19H28N4O — CID 71906438

IUPAC5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(18-21-13-17(24-18)19(2,3)4)23-11-9-22(10-12-23)14-16-5-7-20-8-6-16/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyMAKWMCXNMWKKGE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds4

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

5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole (PubChem CID 71906438) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole
PubChem CID71906438
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(18-21-13-17(24-18)19(2,3)4)23-11-9-22(10-12-23)14-16-5-7-20-8-6-16/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyMAKWMCXNMWKKGE-UHFFFAOYSA-N
XLogP3.25
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole (CID 71906438) is 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole is CC(c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is MAKWMCXNMWKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(18-21-13-17(24-18)19(2,3)4)23-11-9-22(10-12-23)14-16-5-7-20-8-6-16/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole?
5-tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 328.46 g/mol, XLogP of 3.25, 4 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-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 71906438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).