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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Related Compounds

2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
CID 126892343
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126892376
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
CID 103895043
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
tert-butyl 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CID 86803871
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945
(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97008299
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126892359

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).