(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C29H33N3O3 — CID 26357999

IUPAC(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O3/c1-20-26(21(2)35-31-20)28(34)32-17-14-29(15-18-32)19-25(29)27(33)30-16-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,24-25H,13-19H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyRHKAYMKILHAAFW-RUZDIDTESA-N
MW471.60 g/mol
LogP4.87
Rot. Bonds7

About (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26357999) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26357999
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O3/c1-20-26(21(2)35-31-20)28(34)32-17-14-29(15-18-32)19-25(29)27(33)30-16-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,24-25H,13-19H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyRHKAYMKILHAAFW-RUZDIDTESA-N
XLogP4.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45176540
(2S)-N-(3,3-diphenylpropyl)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42540711
(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42407474
methyl 4-[[(2R)-2-(3,3-diphenylpropylcarbamoyl)-6-azaspiro[2.5]octan-6-yl]methyl]benzoate
CID 42371524
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110246518
(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874442

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 26357999) is (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is RHKAYMKILHAAFW-RUZDIDTESA-N. The full InChI is InChI=1S/C29H33N3O3/c1-20-26(21(2)35-31-20)28(34)32-17-14-29(15-18-32)19-25(29)27(33)30-16-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,24-25H,13-19H2,1-2H3,(H,30,33)/t25-/m1/s1.
What are the key properties of (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26357999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).