3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole

C18H23N5OS — CID 97207612

IUPAC3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCCc1cc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1
InChIInChI=1S/C18H23N5OS/c1-2-15-8-17(24-21-15)11-22-6-3-4-14(9-22)18-19-5-7-23(18)10-16-12-25-13-20-16/h5,7-8,12-14H,2-4,6,9-11H2,1H3/t14-/m1/s1
InChIKeyHMDJBNUYHLZIMI-CQSZACIVSA-N
MW357.48 g/mol
LogP3.32
Rot. Bonds6

About 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole

3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 97207612) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID97207612
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCCc1cc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1
InChIInChI=1S/C18H23N5OS/c1-2-15-8-17(24-21-15)11-22-6-3-4-14(9-22)18-19-5-7-23(18)10-16-12-25-13-20-16/h5,7-8,12-14H,2-4,6,9-11H2,1H3/t14-/m1/s1
InChIKeyHMDJBNUYHLZIMI-CQSZACIVSA-N
XLogP3.32
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole (CID 97207612) is 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole is CCc1cc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1.
What is the InChIKey of 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is HMDJBNUYHLZIMI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-2-15-8-17(24-21-15)11-22-6-3-4-14(9-22)18-19-5-7-23(18)10-16-12-25-13-20-16/h5,7-8,12-14H,2-4,6,9-11H2,1H3/t14-/m1/s1.
What are the key properties of 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 357.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97207612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).