1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C16H23N5O3S — CID 72852648

IUPAC1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSc2nnc(C)o2)C1
InChIInChI=1S/C16H23N5O3S/c1-12-18-19-16(24-12)25-11-14(22)21-6-3-4-13(10-21)15-17-5-7-20(15)8-9-23-2/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyOIQRLGKEJISITQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.72
Rot. Bonds7

About 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 72852648) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID72852648
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSc2nnc(C)o2)C1
InChIInChI=1S/C16H23N5O3S/c1-12-18-19-16(24-12)25-11-14(22)21-6-3-4-13(10-21)15-17-5-7-20(15)8-9-23-2/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyOIQRLGKEJISITQ-UHFFFAOYSA-N
XLogP1.72
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72914097
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}piperidine
CID 72919239
4-[(1-Methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739527
1-{[(cyclopropylmethyl)thio]acetyl}-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72887826
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(methylthio)acetyl]piperidine
CID 72845393
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(methoxyacetyl)piperidine
CID 72868233
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70706290
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70706782
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 70734464
2-Imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70763318
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
CID 70767750
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(isopropylthio)acetyl]piperidine
CID 72845599

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 72852648) is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is COCCn1ccnc1C1CCCN(C(=O)CSc2nnc(C)o2)C1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is OIQRLGKEJISITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-12-18-19-16(24-12)25-11-14(22)21-6-3-4-13(10-21)15-17-5-7-20(15)8-9-23-2/h5,7,13H,3-4,6,8-11H2,1-2H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 72852648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).