(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H25FN4O3 — CID 3235333

IUPAC(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H25FN4O3/c1-14-18(15(2)29-24-14)19(27)25-9-4-7-21(12-25)8-10-26(13-21)20(28)23-17-6-3-5-16(22)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1
InChIKeyHAPCWOXYFDEFTD-OAQYLSRUSA-N
MW400.45 g/mol
LogP3.59
Rot. Bonds2

About (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3235333) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3235333
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H25FN4O3/c1-14-18(15(2)29-24-14)19(27)25-9-4-7-21(12-25)8-10-26(13-21)20(28)23-17-6-3-5-16(22)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1
InChIKeyHAPCWOXYFDEFTD-OAQYLSRUSA-N
XLogP3.59
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233338
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3793873
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
2-N-(2-aminoethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23939516
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3871567
(5R)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373555
phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234315
(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3235333) is (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HAPCWOXYFDEFTD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-18(15(2)29-24-14)19(27)25-9-4-7-21(12-25)8-10-26(13-21)20(28)23-17-6-3-5-16(22)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3235333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).