11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C20H29N3O4 — CID 135101012

IUPAC11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(CC1CCC1)C(=O)CCO2
InChIInChI=1S/C20H29N3O4/c1-14-18(15(2)27-21-14)19(25)22-9-7-20(8-10-22)13-23(12-16-4-3-5-16)17(24)6-11-26-20/h16H,3-13H2,1-2H3
InChIKeyAVZAZDQZTOOUIP-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.32
Rot. Bonds3

About 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 135101012) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID135101012
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(CC1CCC1)C(=O)CCO2
InChIInChI=1S/C20H29N3O4/c1-14-18(15(2)27-21-14)19(25)22-9-7-20(8-10-22)13-23(12-16-4-3-5-16)17(24)6-11-26-20/h16H,3-13H2,1-2H3
InChIKeyAVZAZDQZTOOUIP-UHFFFAOYSA-N
XLogP2.32
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one with MolForge

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

Launch Full Analysis

Related Compounds

11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155508555
11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155491795
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131679299
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692904
3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941064
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
3-[(2-butylcyclohexyl)methyl]-8-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25054251
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770

Frequently Asked Questions

What is the IUPAC name of 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 135101012) is 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(CC1CCC1)C(=O)CCO2.
What is the InChIKey of 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is AVZAZDQZTOOUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14-18(15(2)27-21-14)19(25)22-9-7-20(8-10-22)13-23(12-16-4-3-5-16)17(24)6-11-26-20/h16H,3-13H2,1-2H3.
What are the key properties of 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 375.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 135101012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).