2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C14H18N4O2 — CID 125419246

IUPAC2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESC[C@H]1CCC[C@H](OCc2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C14H18N4O2/c1-10-3-2-4-11(7-10)19-9-13-17-18-14(20-13)12-8-15-5-6-16-12/h5-6,8,10-11H,2-4,7,9H2,1H3/t10-,11-/m0/s1
InChIKeyWLFXKABJMPDCCU-QWRGUYRKSA-N
MW274.32 g/mol
LogP2.62
Rot. Bonds4

About 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 125419246) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID125419246
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESC[C@H]1CCC[C@H](OCc2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C14H18N4O2/c1-10-3-2-4-11(7-10)19-9-13-17-18-14(20-13)12-8-15-5-6-16-12/h5-6,8,10-11H,2-4,7,9H2,1H3/t10-,11-/m0/s1
InChIKeyWLFXKABJMPDCCU-QWRGUYRKSA-N
XLogP2.62
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
CID 136530308
2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 161499473
2-[(4-fluorophenyl)methyl]-5-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 125419229
trimethyl-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]silane
CID 103438651
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 62455722
5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
CID 104809801
(2R)-2-[5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129332397
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 53017496
1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800872
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55078007
2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
CID 143075140

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 125419246) is 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is C[C@H]1CCC[C@H](OCc2nnc(-c3cnccn3)o2)C1.
What is the InChIKey of 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is WLFXKABJMPDCCU-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-2-4-11(7-10)19-9-13-17-18-14(20-13)12-8-15-5-6-16-12/h5-6,8,10-11H,2-4,7,9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 125419246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).