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

C18H18N4O3 — CID 97011603

IUPAC3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1
InChIInChI=1S/C18H18N4O3/c19-10-12-3-1-4-14(9-12)24-11-16(23)22-8-2-5-15(22)17-20-18(25-21-17)13-6-7-13/h1,3-4,9,13,15H,2,5-8,11H2/t15-/m1/s1
InChIKeyZNKVWCZRLHKGTA-OAHLLOKOSA-N
MW338.37 g/mol
LogP2.56
Rot. Bonds5

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

3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile (PubChem CID 97011603) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
PubChem CID97011603
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1
InChIInChI=1S/C18H18N4O3/c19-10-12-3-1-4-14(9-12)24-11-16(23)22-8-2-5-15(22)17-20-18(25-21-17)13-6-7-13/h1,3-4,9,13,15H,2,5-8,11H2/t15-/m1/s1
InChIKeyZNKVWCZRLHKGTA-OAHLLOKOSA-N
XLogP2.56
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011039
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011040
3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 9333293
5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 68686393
2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
CID 68688527
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 71928959
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 71928854
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 97018348
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90564032
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 97017462
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 97006918

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile?
The IUPAC name of 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile (CID 97011603) is 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile?
The canonical SMILES for 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile is N#Cc1cccc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile?
The InChIKey is ZNKVWCZRLHKGTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-10-12-3-1-4-14(9-12)24-11-16(23)22-8-2-5-15(22)17-20-18(25-21-17)13-6-7-13/h1,3-4,9,13,15H,2,5-8,11H2/t15-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile?
3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile has a molecular weight of 338.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 97011603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).