5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole

C15H26N4O — CID 126892374

IUPAC5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC(N3CCN(C(C)C)CC3)C2)o1
InChIInChI=1S/C15H26N4O/c1-12(2)18-4-6-19(7-5-18)14-9-17(10-14)11-15-16-8-13(3)20-15/h8,12,14H,4-7,9-11H2,1-3H3
InChIKeyBCUBRCBFNZTUPR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.19
Rot. Bonds4

About 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126892374) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
PubChem CID126892374
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC(N3CCN(C(C)C)CC3)C2)o1
InChIInChI=1S/C15H26N4O/c1-12(2)18-4-6-19(7-5-18)14-9-17(10-14)11-15-16-8-13(3)20-15/h8,12,14H,4-7,9-11H2,1-3H3
InChIKeyBCUBRCBFNZTUPR-UHFFFAOYSA-N
XLogP1.19
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole (CID 126892374) is 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole is Cc1cnc(CN2CC(N3CCN(C(C)C)CC3)C2)o1.
What is the InChIKey of 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is BCUBRCBFNZTUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)18-4-6-19(7-5-18)14-9-17(10-14)11-15-16-8-13(3)20-15/h8,12,14H,4-7,9-11H2,1-3H3.
What are the key properties of 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 278.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126892374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).