1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C18H27N3O4 — CID 110156043

IUPAC1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)CC(O)C1(C)C
InChIInChI=1S/C18H27N3O4/c1-12-9-14(25-19-12)16(24)20-7-5-18(6-8-20)10-15(23)17(3,4)21(11-18)13(2)22/h9,15,23H,5-8,10-11H2,1-4H3
InChIKeyCICOCXRBPTVPRI-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.60
Rot. Bonds1

About 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 110156043) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID110156043
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)CC(O)C1(C)C
InChIInChI=1S/C18H27N3O4/c1-12-9-14(25-19-12)16(24)20-7-5-18(6-8-20)10-15(23)17(3,4)21(11-18)13(2)22/h9,15,23H,5-8,10-11H2,1-4H3
InChIKeyCICOCXRBPTVPRI-UHFFFAOYSA-N
XLogP1.60
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4R)-4-hydroxy-3,3-dimethyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125009214
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124962828
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 115874476
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazol-5-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124975835
(E)-1-(2-acetyl-4-hydroxy-3,3-dimethyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 132770926
N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124912808
2-(1-aminocyclobutyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 91645490
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 110156043) is 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is CC(=O)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)CC(O)C1(C)C.
What is the InChIKey of 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is CICOCXRBPTVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-12-9-14(25-19-12)16(24)20-7-5-18(6-8-20)10-15(23)17(3,4)21(11-18)13(2)22/h9,15,23H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 110156043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).