5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C16H27N3O — CID 123215414

IUPAC5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1(C)CC1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N3O/c1-5-16(4)10-13(16)12-6-8-19(9-7-12)15-17-14(11(2)3)18-20-15/h11-13H,5-10H2,1-4H3
InChIKeyZEWJKUXBVHTHGF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds4

About 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 123215414) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID123215414
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1(C)CC1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N3O/c1-5-16(4)10-13(16)12-6-8-19(9-7-12)15-17-14(11(2)3)18-20-15/h11-13H,5-10H2,1-4H3
InChIKeyZEWJKUXBVHTHGF-UHFFFAOYSA-N
XLogP3.85
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 67212517
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
CID 86638744
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
N-methyl-2-[2-methyl-4-[2-[(1S,2R)-1-methyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-phosphanylphenyl]acetamide
CID 129310335
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 140516723
5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 123479226
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133480686

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 123215414) is 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CCC1(C)CC1C1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZEWJKUXBVHTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(4)10-13(16)12-6-8-19(9-7-12)15-17-14(11(2)3)18-20-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 123215414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).