3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole

C16H25N5O — CID 97191148

IUPAC3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCCCn1ccnc1[C@@H]1CCCN(c2noc(CC)n2)C1
InChIInChI=1S/C16H25N5O/c1-3-5-9-20-11-8-17-15(20)13-7-6-10-21(12-13)16-18-14(4-2)22-19-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeyNHAOEZFQFCAVEP-CYBMUJFWSA-N
MW303.41 g/mol
LogP3.01
Rot. Bonds6

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

3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 97191148) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
PubChem CID97191148
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCCCn1ccnc1[C@@H]1CCCN(c2noc(CC)n2)C1
InChIInChI=1S/C16H25N5O/c1-3-5-9-20-11-8-17-15(20)13-7-6-10-21(12-13)16-18-14(4-2)22-19-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeyNHAOEZFQFCAVEP-CYBMUJFWSA-N
XLogP3.01
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole (CID 97191148) is 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole is CCCCn1ccnc1[C@@H]1CCCN(c2noc(CC)n2)C1.
What is the InChIKey of 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is NHAOEZFQFCAVEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-5-9-20-11-8-17-15(20)13-7-6-10-21(12-13)16-18-14(4-2)22-19-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole?
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 97191148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).