2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole

C14H14N2O2 — CID 95321935

IUPAC2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole
SMILESC1=C[C@@H](Oc2ccc(-c3nnco3)cc2)CCC1
InChIInChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)14-16-15-10-17-14/h2,4,6-10,12H,1,3,5H2/t12-/m1/s1
InChIKeyXHDYACWFZBTCOB-GFCCVEGCSA-N
MW242.28 g/mol
LogP3.22
Rot. Bonds3

About 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole

2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole (PubChem CID 95321935) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole
PubChem CID95321935
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole
SMILESC1=C[C@@H](Oc2ccc(-c3nnco3)cc2)CCC1
InChIInChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)14-16-15-10-17-14/h2,4,6-10,12H,1,3,5H2/t12-/m1/s1
InChIKeyXHDYACWFZBTCOB-GFCCVEGCSA-N
XLogP3.22
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyclohex-2-en-1-yloxyaniline
CID 112693108
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CID 15190705
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CID 56975976
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one
CID 96527278
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610
2-[4-(8-oxaspiro[4.5]decan-4-ylmethoxy)phenyl]-1,3,4-oxadiazole
CID 167870414
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole (CID 95321935) is 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole is C1=C[C@@H](Oc2ccc(-c3nnco3)cc2)CCC1.
What is the InChIKey of 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole?
The InChIKey is XHDYACWFZBTCOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)14-16-15-10-17-14/h2,4,6-10,12H,1,3,5H2/t12-/m1/s1.
What are the key properties of 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole?
2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole has a molecular weight of 242.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95321935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).