5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

C13H23N5O — CID 66202752

IUPAC5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C13H23N5O/c1-10(2)13-15-12(19-16-13)9-17-3-5-18(6-4-17)11-7-14-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyQWXPIIVLEPNZKQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.28
Rot. Bonds4

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

5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 66202752) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID66202752
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C13H23N5O/c1-10(2)13-15-12(19-16-13)9-17-3-5-18(6-4-17)11-7-14-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyQWXPIIVLEPNZKQ-UHFFFAOYSA-N
XLogP0.28
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085368
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 66203343
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
3-(methylsulfanylmethyl)-5-[[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124755478
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
4-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43048630
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 66202752) is 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CN2CCN(C3CNC3)CC2)n1.
What is the InChIKey of 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QWXPIIVLEPNZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)13-15-12(19-16-13)9-17-3-5-18(6-4-17)11-7-14-8-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66202752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).