3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one

C16H24ClN3O3 — CID 164698982

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
SMILESCN1CC[C@H](O)[C@@]2(CCCN(C(=O)CCc3cc(Cl)no3)C2)C1
InChIInChI=1S/C16H24ClN3O3/c1-19-8-5-13(21)16(10-19)6-2-7-20(11-16)15(22)4-3-12-9-14(17)18-23-12/h9,13,21H,2-8,10-11H2,1H3/t13-,16-/m0/s1
InChIKeyCZSFPWWBBMURBY-BBRMVZONSA-N
MW341.84 g/mol
LogP1.57
Rot. Bonds3

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one (PubChem CID 164698982) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
PubChem CID164698982
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
SMILESCN1CC[C@H](O)[C@@]2(CCCN(C(=O)CCc3cc(Cl)no3)C2)C1
InChIInChI=1S/C16H24ClN3O3/c1-19-8-5-13(21)16(10-19)6-2-7-20(11-16)15(22)4-3-12-9-14(17)18-23-12/h9,13,21H,2-8,10-11H2,1H3/t13-,16-/m0/s1
InChIKeyCZSFPWWBBMURBY-BBRMVZONSA-N
XLogP1.57
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one with MolForge

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Related Compounds

(5S)-7-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95724274
1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-2-phenylsulfanylethanone
CID 164691764
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
CID 125001654
7-[2-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-2-oxoethoxy]chromen-2-one
CID 171909951
(6R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 125015697
2-(4-fluoroanilino)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164689214
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 124958863
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502362
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 95719518
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 124978226
(4aS,8aR)-6-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56894990
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one (CID 164698982) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one is CN1CC[C@H](O)[C@@]2(CCCN(C(=O)CCc3cc(Cl)no3)C2)C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one?
The InChIKey is CZSFPWWBBMURBY-BBRMVZONSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-19-8-5-13(21)16(10-19)6-2-7-20(11-16)15(22)4-3-12-9-14(17)18-23-12/h9,13,21H,2-8,10-11H2,1H3/t13-,16-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one has a molecular weight of 341.84 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one is sourced from PubChem (CID 164698982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).