[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C19H23N7O3 — CID 131897141

IUPAC[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCOCCc1noc(C2CCCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C19H23N7O3/c1-28-11-9-17-21-18(29-22-17)16-4-2-3-10-26(16)19(27)15-7-5-14(6-8-15)12-25-13-20-23-24-25/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyKQJBGLSGPTYJID-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.66
Rot. Bonds7

About [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 131897141) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID131897141
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCOCCc1noc(C2CCCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C19H23N7O3/c1-28-11-9-17-21-18(29-22-17)16-4-2-3-10-26(16)19(27)15-7-5-14(6-8-15)12-25-13-20-23-24-25/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyKQJBGLSGPTYJID-UHFFFAOYSA-N
XLogP1.66
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 96575341
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126447176
(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920787
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125168186
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 118779570
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 131897141) is [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is COCCc1noc(C2CCCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1.
What is the InChIKey of [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is KQJBGLSGPTYJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-28-11-9-17-21-18(29-22-17)16-4-2-3-10-26(16)19(27)15-7-5-14(6-8-15)12-25-13-20-23-24-25/h5-8,13,16H,2-4,9-12H2,1H3.
What are the key properties of [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 397.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 131897141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).