[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C20H31N3O2 — CID 42515065

IUPAC[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-16-18(25-15-21-16)19(24)23-11-9-20(14-23)8-5-10-22(13-20)12-17-6-3-2-4-7-17/h15,17H,2-14H2,1H3/t20-/m1/s1
InChIKeyOXVCRDVAEOHWNB-HXUWFJFHSA-N
MW345.49 g/mol
LogP3.49
Rot. Bonds3

About [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 42515065) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID42515065
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-16-18(25-15-21-16)19(24)23-11-9-20(14-23)8-5-10-22(13-20)12-17-6-3-2-4-7-17/h15,17H,2-14H2,1H3/t20-/m1/s1
InChIKeyOXVCRDVAEOHWNB-HXUWFJFHSA-N
XLogP3.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 42515065) is [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1.
What is the InChIKey of [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OXVCRDVAEOHWNB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-18(25-15-21-16)19(24)23-11-9-20(14-23)8-5-10-22(13-20)12-17-6-3-2-4-7-17/h15,17H,2-14H2,1H3/t20-/m1/s1.
What are the key properties of [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 42515065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).