4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile

C15H15N3O2 — CID 125419241

IUPAC4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
SMILESCC1(C)C[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C15H15N3O2/c1-15(2)7-12(15)14-18-17-13(20-14)9-19-11-5-3-10(8-16)4-6-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1
InChIKeySGOMKCJBLOIKSL-GFCCVEGCSA-N
MW269.30 g/mol
LogP3.03
Rot. Bonds4

About 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile

4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile (PubChem CID 125419241) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
PubChem CID125419241
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
SMILESCC1(C)C[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C15H15N3O2/c1-15(2)7-12(15)14-18-17-13(20-14)9-19-11-5-3-10(8-16)4-6-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1
InChIKeySGOMKCJBLOIKSL-GFCCVEGCSA-N
XLogP3.03
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile (CID 125419241) is 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile is CC1(C)C[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1.
What is the InChIKey of 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile?
The InChIKey is SGOMKCJBLOIKSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-15(2)7-12(15)14-18-17-13(20-14)9-19-11-5-3-10(8-16)4-6-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile?
4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 125419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).