(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C22H25N5O3 — CID 3235291

IUPAC(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1
InChIInChI=1S/C22H25N5O3/c1-15-19(16(2)30-25-15)20(28)26-9-4-7-22(13-26)8-10-27(14-22)21(29)24-18-6-3-5-17(11-18)12-23/h3,5-6,11H,4,7-10,13-14H2,1-2H3,(H,24,29)/t22-/m1/s1
InChIKeyGKNUDYMJJAVGFM-JOCHJYFZSA-N
MW407.47 g/mol
LogP3.32
Rot. Bonds2

About (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3235291) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3235291
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1
InChIInChI=1S/C22H25N5O3/c1-15-19(16(2)30-25-15)20(28)26-9-4-7-22(13-26)8-10-27(14-22)21(29)24-18-6-3-5-17(11-18)12-23/h3,5-6,11H,4,7-10,13-14H2,1-2H3,(H,24,29)/t22-/m1/s1
InChIKeyGKNUDYMJJAVGFM-JOCHJYFZSA-N
XLogP3.32
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3235291) is (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1.
What is the InChIKey of (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is GKNUDYMJJAVGFM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-19(16(2)30-25-15)20(28)26-9-4-7-22(13-26)8-10-27(14-22)21(29)24-18-6-3-5-17(11-18)12-23/h3,5-6,11H,4,7-10,13-14H2,1-2H3,(H,24,29)/t22-/m1/s1.
What are the key properties of (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).