1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol

C18H24N6O2 — CID 154818661

IUPAC1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol
SMILESCCn1nc(C(C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1
InChIInChI=1S/C18H24N6O2/c1-4-24-17(20-15(22-24)12(3)25)13-7-9-23(10-8-13)18-21-16-14(26-18)6-5-11(2)19-16/h5-6,12-13,25H,4,7-10H2,1-3H3
InChIKeyLIZSEUCCFCOBOO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol

1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 154818661) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol
PubChem CID154818661
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol
SMILESCCn1nc(C(C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1
InChIInChI=1S/C18H24N6O2/c1-4-24-17(20-15(22-24)12(3)25)13-7-9-23(10-8-13)18-21-16-14(26-18)6-5-11(2)19-16/h5-6,12-13,25H,4,7-10H2,1-3H3
InChIKeyLIZSEUCCFCOBOO-UHFFFAOYSA-N
XLogP2.58
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol (CID 154818661) is 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol is CCn1nc(C(C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1.
What is the InChIKey of 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is LIZSEUCCFCOBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-4-24-17(20-15(22-24)12(3)25)13-7-9-23(10-8-13)18-21-16-14(26-18)6-5-11(2)19-16/h5-6,12-13,25H,4,7-10H2,1-3H3.
What are the key properties of 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol?
1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 356.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 154818661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).