2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

C18H21N5O2 — CID 154762087

IUPAC2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCCc1cnccc1-c1nnc([C@@H]2CCCO[C@H]2c2nccn2C)o1
InChIInChI=1S/C18H21N5O2/c1-3-12-11-19-7-6-13(12)17-21-22-18(25-17)14-5-4-10-24-15(14)16-20-8-9-23(16)2/h6-9,11,14-15H,3-5,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyRVMVVSIEPREKQB-HUUCEWRRSA-N
MW339.40 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (PubChem CID 154762087) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
PubChem CID154762087
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCCc1cnccc1-c1nnc([C@@H]2CCCO[C@H]2c2nccn2C)o1
InChIInChI=1S/C18H21N5O2/c1-3-12-11-19-7-6-13(12)17-21-22-18(25-17)14-5-4-10-24-15(14)16-20-8-9-23(16)2/h6-9,11,14-15H,3-5,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyRVMVVSIEPREKQB-HUUCEWRRSA-N
XLogP3.06
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-4-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154762091
2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 167920476
2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154801621
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
CID 154795416
2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154794275
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (CID 154762087) is 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is CCc1cnccc1-c1nnc([C@@H]2CCCO[C@H]2c2nccn2C)o1.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The InChIKey is RVMVVSIEPREKQB-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-12-11-19-7-6-13(12)17-21-22-18(25-17)14-5-4-10-24-15(14)16-20-8-9-23(16)2/h6-9,11,14-15H,3-5,10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154762087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).