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

C22H25N5O2 — CID 174252793

IUPAC4-[(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
SMILESC[C@H](Nc1nnc([C@H]2C[C@H]2c2ccc(C#N)cc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H25N5O2/c1-14(20(28)27-10-8-22(6-7-22)9-11-27)24-21-26-25-19(29-21)18-12-17(18)16-4-2-15(13-23)3-5-16/h2-5,14,17-18H,6-12H2,1H3,(H,24,26)/t14-,17-,18-/m0/s1
InChIKeyXOPCXHCWSGABDD-WBAXXEDZSA-N
MW391.48 g/mol
LogP3.42
Rot. Bonds5

About 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

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 (PubChem CID 174252793) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID174252793
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[(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
SMILESC[C@H](Nc1nnc([C@H]2C[C@H]2c2ccc(C#N)cc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H25N5O2/c1-14(20(28)27-10-8-22(6-7-22)9-11-27)24-21-26-25-19(29-21)18-12-17(18)16-4-2-15(13-23)3-5-16/h2-5,14,17-18H,6-12H2,1H3,(H,24,26)/t14-,17-,18-/m0/s1
InChIKeyXOPCXHCWSGABDD-WBAXXEDZSA-N
XLogP3.42
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](Nc1nnc([C@H]2C[C@H]2c2ccc(C#N)cc2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 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?
The InChIKey is XOPCXHCWSGABDD-WBAXXEDZSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(20(28)27-10-8-22(6-7-22)9-11-27)24-21-26-25-19(29-21)18-12-17(18)16-4-2-15(13-23)3-5-16/h2-5,14,17-18H,6-12H2,1H3,(H,24,26)/t14-,17-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 391.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174252793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).