(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H29N3O3 — CID 25447459

IUPAC(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H29N3O3/c1-15-17(26-14-21-15)18(24)23-11-9-20(13-23)8-5-10-22(19(20)25)12-16-6-3-2-4-7-16/h14,16H,2-13H2,1H3/t20-/m0/s1
InChIKeyNNLBWUMGFOZKGG-FQEVSTJZSA-N
MW359.47 g/mol
LogP3.02
Rot. Bonds3

About (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25447459) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25447459
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H29N3O3/c1-15-17(26-14-21-15)18(24)23-11-9-20(13-23)8-5-10-22(19(20)25)12-16-6-3-2-4-7-16/h14,16H,2-13H2,1H3/t20-/m0/s1
InChIKeyNNLBWUMGFOZKGG-FQEVSTJZSA-N
XLogP3.02
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25447459) is (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NNLBWUMGFOZKGG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-17(26-14-21-15)18(24)23-11-9-20(13-23)8-5-10-22(19(20)25)12-16-6-3-2-4-7-16/h14,16H,2-13H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 359.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25447459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).