5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C13H18N2O2 — CID 129489828

IUPAC5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1=C(c2nc([C@H]3CCOC3)no2)CCCCC1
InChIInChI=1S/C13H18N2O2/c1-2-4-6-10(5-3-1)13-14-12(15-17-13)11-7-8-16-9-11/h5,11H,1-4,6-9H2/t11-/m0/s1
InChIKeyBRPJCFGEEHROGK-NSHDSACASA-N
MW234.30 g/mol
LogP2.92
Rot. Bonds2

About 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 129489828) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID129489828
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1=C(c2nc([C@H]3CCOC3)no2)CCCCC1
InChIInChI=1S/C13H18N2O2/c1-2-4-6-10(5-3-1)13-14-12(15-17-13)11-7-8-16-9-11/h5,11H,1-4,6-9H2/t11-/m0/s1
InChIKeyBRPJCFGEEHROGK-NSHDSACASA-N
XLogP2.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-oxolan-3-yl]-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazole
CID 97444298
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 65330435
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 97444955

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 129489828) is 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is C1=C(c2nc([C@H]3CCOC3)no2)CCCCC1.
What is the InChIKey of 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is BRPJCFGEEHROGK-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-4-6-10(5-3-1)13-14-12(15-17-13)11-7-8-16-9-11/h5,11H,1-4,6-9H2/t11-/m0/s1.
What are the key properties of 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 234.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129489828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).