3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole

C17H19N5O3 — CID 167876542

IUPAC3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
SMILESCOc1ncccc1Cc1noc([C@H]2OCC[C@H]2Cn2cccn2)n1
InChIInChI=1S/C17H19N5O3/c1-23-16-12(4-2-6-18-16)10-14-20-17(25-21-14)15-13(5-9-24-15)11-22-8-3-7-19-22/h2-4,6-8,13,15H,5,9-11H2,1H3/t13-,15-/m0/s1
InChIKeyXVHKTBRIHIQVIS-ZFWWWQNUSA-N
MW341.37 g/mol
LogP2.04
Rot. Bonds6

About 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole

3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 167876542) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
PubChem CID167876542
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
SMILESCOc1ncccc1Cc1noc([C@H]2OCC[C@H]2Cn2cccn2)n1
InChIInChI=1S/C17H19N5O3/c1-23-16-12(4-2-6-18-16)10-14-20-17(25-21-14)15-13(5-9-24-15)11-22-8-3-7-19-22/h2-4,6-8,13,15H,5,9-11H2,1H3/t13-,15-/m0/s1
InChIKeyXVHKTBRIHIQVIS-ZFWWWQNUSA-N
XLogP2.04
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-tert-butyl-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
CID 128992897
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 154761301
(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 124810117
5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole
CID 126804009
5-(1-ethylsulfonylazetidin-3-yl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 71784381
3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372354
3-[(4-methoxyphenyl)methyl]-5-[(2S,3S)-3-phenyloxolan-2-yl]-1,2,4-oxadiazole
CID 128994621
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 125427036
5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
CID 119050129
3-tert-butyl-5-[(2S,3S)-3-(imidazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
CID 128994774
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole (CID 167876542) is 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole is COc1ncccc1Cc1noc([C@H]2OCC[C@H]2Cn2cccn2)n1.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is XVHKTBRIHIQVIS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-23-16-12(4-2-6-18-16)10-14-20-17(25-21-14)15-13(5-9-24-15)11-22-8-3-7-19-22/h2-4,6-8,13,15H,5,9-11H2,1H3/t13-,15-/m0/s1.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole?
3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 341.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167876542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).