(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C20H23N5O3 — CID 91918529

IUPAC(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C20H23N5O3/c1-2-25-17(10-11-21-25)20(26)24-12-6-7-15(13-24)19-22-18(28-23-19)14-27-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3
InChIKeyTZFUOKAMTVIEBO-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.88
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91918529) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91918529
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C20H23N5O3/c1-2-25-17(10-11-21-25)20(26)24-12-6-7-15(13-24)19-22-18(28-23-19)14-27-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3
InChIKeyTZFUOKAMTVIEBO-UHFFFAOYSA-N
XLogP2.88
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 53185291
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110197197
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91918469
N-benzyl-3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91907968
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918540

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91918529) is (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3)n2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is TZFUOKAMTVIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-25-17(10-11-21-25)20(26)24-12-6-7-15(13-24)19-22-18(28-23-19)14-27-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).