(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C16H25N3O3 — CID 714795

IUPAC(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1nccn1CCCN1C(=O)OC2(CCCCC2)[C@]1(C)O
InChIInChI=1S/C16H25N3O3/c1-13-17-9-12-18(13)10-6-11-19-14(20)22-16(15(19,2)21)7-4-3-5-8-16/h9,12,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyIFCRAGSCPANQEC-HNNXBMFYSA-N
MW307.39 g/mol
LogP2.45
Rot. Bonds4

About (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one

(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 714795) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID714795
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1nccn1CCCN1C(=O)OC2(CCCCC2)[C@]1(C)O
InChIInChI=1S/C16H25N3O3/c1-13-17-9-12-18(13)10-6-11-19-14(20)22-16(15(19,2)21)7-4-3-5-8-16/h9,12,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyIFCRAGSCPANQEC-HNNXBMFYSA-N
XLogP2.45
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-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

[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
CID 55082128
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64881288
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 114125143
3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 75484140
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 714795) is (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one is Cc1nccn1CCCN1C(=O)OC2(CCCCC2)[C@]1(C)O.
What is the InChIKey of (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is IFCRAGSCPANQEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13-17-9-12-18(13)10-6-11-19-14(20)22-16(15(19,2)21)7-4-3-5-8-16/h9,12,21H,3-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 307.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 714795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).