1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one

C20H24F7N3O3 — CID 5166608

IUPAC1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)C2)CC1
InChIInChI=1S/C20H24F7N3O3/c1-12-15(13(2)33-28-12)16(32)29-8-5-17(6-9-29)7-10-30(11-17)14(31)3-4-18(21,19(22,23)24)20(25,26)27/h3-11H2,1-2H3
InChIKeyQQMDCSFJBQNWDU-UHFFFAOYSA-N
MW487.42 g/mol
LogP4.36
Rot. Bonds4

About 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one

1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one (PubChem CID 5166608) has the molecular formula C20H24F7N3O3 and a molecular weight of 487.42 g/mol. Its IUPAC name is 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one.

Molecular Properties

Compound Name1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one
PubChem CID5166608
Molecular FormulaC20H24F7N3O3
Molecular Weight487.42 g/mol
Exact Mass487.17
IUPAC Name1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)C2)CC1
InChIInChI=1S/C20H24F7N3O3/c1-12-15(13(2)33-28-12)16(32)29-8-5-17(6-9-29)7-10-30(11-17)14(31)3-4-18(21,19(22,23)24)20(25,26)27/h3-11H2,1-2H3
InChIKeyQQMDCSFJBQNWDU-UHFFFAOYSA-N
XLogP4.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one with MolForge

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234303
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233198
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
7-(2,2-Dimethylpropyl)-2-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45218508
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 71940638
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217931

Frequently Asked Questions

What is the IUPAC name of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one?
The IUPAC name of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one (CID 5166608) is 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one.
What is the SMILES notation for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one?
The canonical SMILES for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one is Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one?
The InChIKey is QQMDCSFJBQNWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F7N3O3/c1-12-15(13(2)33-28-12)16(32)29-8-5-17(6-9-29)7-10-30(11-17)14(31)3-4-18(21,19(22,23)24)20(25,26)27/h3-11H2,1-2H3.
What are the key properties of 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one?
1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one has a molecular weight of 487.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-one is sourced from PubChem (CID 5166608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).