4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile

C17H17N3O — CID 129358248

IUPAC4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
SMILESC[C@H](c1noc([C@@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1
InChIInChI=1S/C17H17N3O/c1-10(12-6-7-12)16-19-17(21-20-16)15-8-14(15)13-4-2-11(9-18)3-5-13/h2-5,10,12,14-15H,6-8H2,1H3/t10-,14-,15+/m0/s1
InChIKeyFILJFCNZAOGABY-NZVBXONLSA-N
MW279.34 g/mol
LogP3.73
Rot. Bonds4

About 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile

4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile (PubChem CID 129358248) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
PubChem CID129358248
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
SMILESC[C@H](c1noc([C@@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1
InChIInChI=1S/C17H17N3O/c1-10(12-6-7-12)16-19-17(21-20-16)15-8-14(15)13-4-2-11(9-18)3-5-13/h2-5,10,12,14-15H,6-8H2,1H3/t10-,14-,15+/m0/s1
InChIKeyFILJFCNZAOGABY-NZVBXONLSA-N
XLogP3.73
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile with MolForge

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Related Compounds

3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
3-[(1R,2R)-2-[3-(8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
CID 167986612
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
4-[(1R,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252793
4-[(1S,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252752
4-[(1S,2R)-2-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 171632019
4-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43048630
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527338

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile?
The IUPAC name of 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile (CID 129358248) is 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile.
What is the SMILES notation for 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile?
The canonical SMILES for 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile is C[C@H](c1noc([C@@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1.
What is the InChIKey of 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile?
The InChIKey is FILJFCNZAOGABY-NZVBXONLSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10(12-6-7-12)16-19-17(21-20-16)15-8-14(15)13-4-2-11(9-18)3-5-13/h2-5,10,12,14-15H,6-8H2,1H3/t10-,14-,15+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile?
4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile is sourced from PubChem (CID 129358248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).