1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

C21H31N3O4 — CID 162633641

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1noc(C)c1CC(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H31N3O4/c1-14-18(15(2)28-22-14)13-19(26)24-12-4-10-21(24)9-3-11-23(20(21)27)16-5-7-17(25)8-6-16/h16-17,25H,3-13H2,1-2H3
InChIKeyIBXPXZCXXLMKID-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162633641) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162633641
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1noc(C)c1CC(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H31N3O4/c1-14-18(15(2)28-22-14)13-19(26)24-12-4-10-21(24)9-3-11-23(20(21)27)16-5-7-17(25)8-6-16/h16-17,25H,3-13H2,1-2H3
InChIKeyIBXPXZCXXLMKID-UHFFFAOYSA-N
XLogP2.12
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83075805
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164688914
1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630917
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126852958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162633641) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1noc(C)c1CC(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IBXPXZCXXLMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-14-18(15(2)28-22-14)13-19(26)24-12-4-10-21(24)9-3-11-23(20(21)27)16-5-7-17(25)8-6-16/h16-17,25H,3-13H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 389.50 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162633641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).