5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H23N5O — CID 86771018

IUPAC5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1ccnc1CC1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1-20-8-6-17-15(20)9-12-3-2-7-21(10-12)11-14-18-16(22-19-14)13-4-5-13/h6,8,12-13H,2-5,7,9-11H2,1H3
InChIKeyZBOVWKMWYYDZRF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.14
Rot. Bonds5

About 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 86771018) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID86771018
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1ccnc1CC1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1-20-8-6-17-15(20)9-12-3-2-7-21(10-12)11-14-18-16(22-19-14)13-4-5-13/h6,8,12-13H,2-5,7,9-11H2,1H3
InChIKeyZBOVWKMWYYDZRF-UHFFFAOYSA-N
XLogP2.14
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 86771018) is 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cn1ccnc1CC1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZBOVWKMWYYDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-8-6-17-15(20)9-12-3-2-7-21(10-12)11-14-18-16(22-19-14)13-4-5-13/h6,8,12-13H,2-5,7,9-11H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86771018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).