2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile

C20H22N4O2 — CID 171632688

IUPAC2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
SMILESC[C@@H](Nc1nc(C#N)c(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22N4O2/c1-14(18(25)24-11-9-20(7-8-20)10-12-24)22-19-23-16(13-21)17(26-19)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyLNXGVYNALBFXCW-CQSZACIVSA-N
MW350.42 g/mol
LogP3.42
Rot. Bonds4

About 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile

2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 171632688) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID171632688
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
SMILESC[C@@H](Nc1nc(C#N)c(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22N4O2/c1-14(18(25)24-11-9-20(7-8-20)10-12-24)22-19-23-16(13-21)17(26-19)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyLNXGVYNALBFXCW-CQSZACIVSA-N
XLogP3.42
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile (CID 171632688) is 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile is C[C@@H](Nc1nc(C#N)c(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is LNXGVYNALBFXCW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(18(25)24-11-9-20(7-8-20)10-12-24)22-19-23-16(13-21)17(26-19)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile?
2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 171632688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).